data_2mjz_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 2mjz _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 ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.824 0.345 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.21 -31.51 55.87 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.691 1.594 . . . . 0.0 111.151 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.76 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.41 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.263 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.08 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.27 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.41 -38.1 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.33 -41.17 98.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.55 -33.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.41 97.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.38 90.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.48 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -55.59 -45.17 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.52 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.43 -43.77 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 168.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.13 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.84 -45.03 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.72 -49.47 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.84 -28.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' R' ' 10' ' ' ALA . 22.4 t -64.74 -43.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.33 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.2 -51.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -65.0 -42.35 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.01 8.6 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.01 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.223 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.98 -54.11 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -48.08 75.03 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.57 -41.19 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.59 76.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -36.07 83.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 53.1 t80 -64.99 -36.98 86.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 3.6 t80 -56.48 -50.01 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 172.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -64.91 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 172.654 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.875 0.369 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.29 -31.46 56.59 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.752 1.635 . . . . 0.0 111.188 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.66 81.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.44 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' B' ' 30' ' ' VAL . . . -64.3 -45.36 88.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.99 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.11 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -62.35 -41.2 98.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.51 -33.23 70.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.41 90.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.77 -48.42 81.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.24 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.71 -48.05 82.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.54 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.32 -43.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.6 82.96 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.56 -43.01 95.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.228 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.16 89.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TRP . . . . . 0.4 ' O ' HG21 ' B' ' 30' ' ' VAL . 23.7 m95 -67.91 -45.01 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.82 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.266 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.48 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.241 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' B' ' 10' ' ' ALA . 22.4 t -64.72 -43.43 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.52 -43.9 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -51.74 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.236 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.04 -42.37 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.06 8.44 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.95 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.294 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.0 -54.14 49.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.47 -32.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.14 75.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.4 -41.25 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.251 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.01 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 53.2 t80 -64.94 -37.01 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.91 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.285 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.208 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 3.7 t80 -56.48 -50.04 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 73.7 p -64.8 -29.73 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.21 -31.51 55.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.69 1.593 . . . . 0.0 111.207 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.67 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.37 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.93 96.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.214 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.39 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.09 -50.84 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.32 -38.17 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.33 -41.14 98.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.22 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.155 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.51 97.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.08 -44.03 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.57 -45.17 77.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.224 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.37 -43.87 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 168.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.6 -41.57 82.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.61 -43.0 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.76 -45.15 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.63 -49.46 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.75 -43.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.3 -51.73 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.98 -42.38 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.99 8.7 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.05 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.07 -54.06 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.69 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -47.99 76.96 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.6 76.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.36 -35.89 82.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 53.3 t80 -65.0 -37.01 86.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.19 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.79 -35.86 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 3.6 t80 -56.63 -49.95 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.2 p -64.87 -29.64 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 172.641 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.22 -31.53 56.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.713 1.609 . . . . 0.0 111.131 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.68 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.204 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.4 79.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.08 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . 0.409 ' HB3' HG13 ' I' ' 30' ' ' VAL . . . -64.28 -45.32 88.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.14 -50.75 72.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.29 -41.17 98.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.52 -33.29 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.48 97.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.39 90.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.98 -44.12 97.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.46 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.55 -48.15 81.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.55 60.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.31 -43.9 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 168.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.49 82.53 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.62 -43.07 94.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 111.158 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.22 89.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.82 -45.04 75.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -43.9 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.59 -49.59 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.82 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' U' ' 10' ' ' ALA . 22.9 t -64.64 -43.48 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.278 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.37 -44.01 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -51.73 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.07 -42.31 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.43 -57.03 8.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -60.01 -54.06 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.238 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.66 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.1 75.46 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.52 -41.09 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.267 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.68 -43.58 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.26 -36.01 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.211 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 53.5 t80 -64.92 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.9 82.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.97 76.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 3.7 t80 -56.51 -50.06 72.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.207 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -64.83 -29.81 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.129 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 172.755 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -31.59 55.19 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.824 1.683 . . . . 0.0 111.256 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.74 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.229 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.35 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' E' ' 30' ' ' VAL . . . -64.26 -45.29 88.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.17 -50.8 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.22 86.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.185 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.28 -41.17 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.58 -33.2 70.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.09 -41.5 97.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.41 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.02 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.45 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.56 -45.18 77.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.57 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.3 -43.89 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 168.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.5 82.57 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.07 94.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' TRP . . . . . 0.4 ' O ' HG21 ' E' ' 30' ' ' VAL . 23.7 m95 -67.95 -45.02 75.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.02 76.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.6 62.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.89 -28.75 34.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.273 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' E' ' 10' ' ' ALA . 22.8 t -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 172.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -51.78 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.06 -42.34 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.1 8.45 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.05 -54.0 51.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.54 -32.67 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.56 -41.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.57 -43.66 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.28 -36.01 82.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 53.1 t80 -64.94 -36.99 86.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 173.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.74 -35.97 82.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.93 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.0 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 172.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.84 -29.74 70.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 172.762 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.24 -31.46 55.93 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.733 1.622 . . . . 0.0 111.191 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.39 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.08 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' ALA . . . . . 0.407 ' HB3' HG13 ' F' ' 30' ' ' VAL . . . -64.22 -45.3 88.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.1 -50.83 72.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.44 -38.18 86.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.22 -41.19 98.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.55 -33.31 70.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.96 -41.58 97.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.37 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.59 -45.11 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.228 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.2 81.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.64 -25.6 60.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 -173.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.33 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.53 83.12 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.277 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.12 89.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.08 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.89 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.49 62.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.93 -28.78 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB3' ' W' ' 10' ' ' ALA . 22.8 t -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -51.81 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.1 -42.26 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.0 8.58 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.11 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 111.143 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.03 -54.03 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.74 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.08 75.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.12 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.67 76.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.29 -35.9 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 52.9 t80 -65.03 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.272 173.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.82 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.99 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.94 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 172.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 74.3 p -64.95 -29.65 70.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 172.689 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.78 0.324 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.13 -31.62 55.62 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.7 1.6 . . . . 0.0 111.209 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.71 81.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.41 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 10' ' ' ALA . . . . . 0.407 ' HB3' HG13 ' G' ' 30' ' ' VAL . . . -64.27 -45.26 88.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.16 -50.82 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.233 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.35 -41.17 98.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.51 -33.27 71.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.58 97.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.47 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.95 -44.18 97.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.36 -45.35 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.5 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -173.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.44 -43.81 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.48 82.66 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.08 95.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 111.252 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.7 -45.14 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.98 77.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.56 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.83 -28.81 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' G' ' 10' ' ' ALA . 22.5 t -64.74 -43.44 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.3 -51.72 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.11 -42.29 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.12 8.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.13 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 111.218 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -59.97 -54.05 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.26 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.64 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -47.96 77.27 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.61 -41.1 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.336 . . . . 0.0 111.192 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.71 -43.58 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 53.0 t80 -65.05 -36.88 85.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 173.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.88 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -33.99 76.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 3.6 t80 -56.59 -50.05 73.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.68 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.17 172.717 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.77 0.319 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.53 55.67 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.719 1.613 . . . . 0.0 111.214 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.225 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.45 79.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.04 96.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.36 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.08 -50.79 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.27 86.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.51 -33.29 71.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.1 -41.51 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.4 90.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.216 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.53 81.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.45 -45.25 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.05 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.51 60.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.73 -41.53 83.02 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 171.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -42.99 95.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 111.176 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.19 89.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.8 -45.06 75.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.88 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.264 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.72 -49.55 62.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.9 -28.7 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' T' ' 10' ' ' ALA . 22.4 t -64.79 -43.47 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.39 -43.91 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -51.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.93 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.01 8.59 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.11 73.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.241 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -60.03 -54.08 50.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.05 76.02 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.54 -41.18 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.242 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.52 76.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.37 -35.96 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 52.9 t80 -64.99 -36.92 85.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.23 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.92 82.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.98 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 3.7 t80 -56.54 -50.01 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.23 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.23 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.76 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.801 0.334 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.13 -31.61 55.53 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.681 1.587 . . . . 0.0 111.188 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.39 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.1 96.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.44 88.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.83 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.4 -38.18 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.25 98.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.49 97.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.96 -44.11 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.54 -45.2 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.11 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.32 -43.79 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.263 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.52 83.09 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.03 94.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.08 89.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.237 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.89 -45.04 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.196 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.0 76.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.232 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.68 -49.53 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.69 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' D' ' 10' ' ' ALA . 22.5 t -64.8 -43.46 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 172.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.4 -43.92 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -51.93 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.92 -42.29 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.13 8.49 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.1 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 111.236 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -60.0 -54.03 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.72 30.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.98 76.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.12 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.56 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.23 -35.99 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 53.6 t80 -65.06 -36.92 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.168 173.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.99 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 3.6 t80 -56.6 -49.91 73.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 172.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.87 -29.77 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 172.727 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.715 0.293 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.25 -31.5 56.25 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.738 1.626 . . . . 0.0 111.21 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.64 81.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.36 -42.32 79.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.04 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.218 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 10' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' X' ' 30' ' ' VAL . . . -64.24 -45.33 88.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.11 85.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.63 -33.18 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.25 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.48 90.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.95 -44.19 97.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.45 81.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.28 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.55 -45.21 77.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.63 -48.1 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.78 -25.45 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.44 -43.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 168.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.53 82.99 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.09 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.234 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.58 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.88 -28.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 23.0 t -64.59 -43.52 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.33 -44.02 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -51.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.31 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.02 8.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.01 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.211 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -59.99 -54.15 49.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -175.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.59 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.17 75.12 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.43 -41.27 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.5 -43.7 75.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.98 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 53.2 t80 -65.02 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 173.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.12 77.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 3.6 t80 -56.44 -50.02 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 172.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 76.0 p -64.97 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.692 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.27 -31.42 56.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.68 1.587 . . . . 0.0 111.177 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.3 -42.36 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.02 96.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' T' ' 30' ' ' VAL . . . -64.28 -45.3 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.86 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.1 85.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.32 -41.28 98.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.43 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.52 97.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.42 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.95 -44.15 97.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.55 -45.15 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.66 -48.07 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.71 -25.54 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.37 -43.82 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.57 82.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.51 -43.14 95.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.196 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.25 89.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.218 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.77 -45.12 75.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.92 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -28.87 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.7 -43.41 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.278 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.42 -44.0 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.24 -51.73 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.54 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.04 -54.07 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.45 -32.66 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -48.04 76.52 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.15 90.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.51 -43.74 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -35.92 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 53.0 t80 -65.15 -36.87 85.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.96 82.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.94 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 3.6 t80 -56.57 -50.03 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 172.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.87 -29.62 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 172.705 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.17 -31.6 55.86 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.199 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.75 81.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.37 79.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.96 96.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 10' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' U' ' 30' ' ' VAL . . . -64.28 -45.29 88.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.78 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.38 -41.17 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.5 -33.23 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.41 90.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.212 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.43 -45.23 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.08 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.55 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.38 -43.79 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.56 82.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 171.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.08 94.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.26 89.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.69 -45.19 75.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.88 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.51 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.72 -43.43 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.97 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.2 -51.81 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.04 -42.32 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.05 8.55 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.09 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.239 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.94 -54.15 49.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.48 -32.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -47.98 76.6 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.08 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.174 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.6 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.24 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 53.5 t80 -65.0 -36.92 85.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.92 82.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.08 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.96 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 172.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -64.98 -29.68 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 172.724 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.817 0.342 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.12 -31.62 55.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.75 1.633 . . . . 0.0 111.159 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.65 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.32 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.205 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.37 88.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.11 -50.77 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.36 -38.12 85.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.34 -41.17 98.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.57 -33.16 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.19 -41.45 97.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.237 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.39 90.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.98 -44.15 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.41 -45.29 76.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.55 60.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.38 -43.88 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 168.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.52 82.65 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.15 94.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.75 -45.08 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.96 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.5 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.71 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.96 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.25 -51.7 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.14 -42.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.06 8.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.09 -54.04 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -175.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mm -74.53 -32.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.3 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.55 -41.08 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.747 0.308 . . . . 0.0 111.22 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.58 76.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.0 82.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 53.4 t80 -64.91 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 173.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.82 -35.98 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.98 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 75.9 p -64.99 -29.63 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 172.637 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.323 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.24 -31.47 56.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.64 1.56 . . . . 0.0 111.184 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.76 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.38 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.97 96.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 10' ' ' ALA . . . . . 0.411 ' HB3' HG13 ' W' ' 30' ' ' VAL . . . -64.28 -45.38 88.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.98 -50.86 71.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.19 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.21 -41.23 98.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.55 -33.23 70.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.181 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.5 97.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -44.06 97.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.229 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.48 81.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.37 -45.27 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.257 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.7 -48.06 82.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.56 60.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.173 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.3 -43.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.52 83.4 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.04 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.276 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.12 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.88 -45.0 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.89 77.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.45 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.72 -43.46 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.41 -43.92 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.241 174.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.3 -51.72 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.04 8.53 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.03 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -59.97 -54.15 49.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.221 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.65 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.08 75.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.48 -41.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.57 76.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.97 82.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 53.2 t80 -65.06 -36.91 85.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.97 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.1 72.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 72.6 p -64.81 -29.65 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 172.642 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.19 -31.56 55.96 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.687 1.591 . . . . 0.0 111.234 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.82 81.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.44 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.01 96.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.233 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.41 88.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -50.84 72.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.38 -38.14 85.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.25 -41.3 98.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.46 -33.24 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.18 -41.44 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.04 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.48 -45.3 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.58 -48.14 81.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.69 -25.55 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.35 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.57 82.47 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.05 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.24 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.17 89.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.86 -45.08 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.96 77.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.57 -49.53 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.242 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.04 -28.71 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 t -64.71 -43.52 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 172.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.37 -43.96 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.27 -51.76 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.99 -42.38 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.03 8.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.05 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -60.04 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.51 -32.69 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -48.05 75.77 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -41.09 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.69 -43.52 76.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -36.03 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 52.9 t80 -64.96 -36.97 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.0 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.04 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 172.712 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.2 -31.48 55.63 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.653 1.569 . . . . 0.0 111.192 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.72 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.53 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.04 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 10' ' ' ALA . . . . . 0.406 ' HB3' HG13 ' Y' ' 30' ' ' VAL . . . -64.26 -45.31 88.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.9 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.33 -38.19 86.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -62.28 -41.2 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.5 -33.33 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.08 -41.51 97.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.47 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.5 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.24 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.16 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.56 -25.7 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.24 -43.84 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.266 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.46 82.98 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.63 -43.08 94.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.09 89.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.82 -45.1 75.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.63 -43.97 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.27 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.62 -49.52 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.97 -28.76 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.229 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.67 -43.53 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.41 -43.91 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.76 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.19 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.13 -42.24 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.224 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.55 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.01 74.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -60.03 -54.07 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.229 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.56 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.174 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.57 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.99 82.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 53.3 t80 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 173.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.95 82.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 3.7 t80 -56.52 -50.07 72.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.8 -29.71 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 172.753 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.58 55.9 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.657 1.571 . . . . 0.0 111.165 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.39 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' Z' ' 30' ' ' VAL . . . -64.29 -45.34 88.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.11 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.14 98.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.257 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.17 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.47 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.221 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.99 -44.14 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.26 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.63 -48.08 82.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.57 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.39 -43.82 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 168.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.64 82.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.55 -43.08 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.261 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.83 -45.12 75.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.95 77.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.61 -49.53 62.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.96 -28.68 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.73 -43.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.0 -42.39 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.12 8.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.2 73.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.93 -54.08 50.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.55 -32.64 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.08 75.69 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.5 -41.22 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.21 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.58 -43.62 76.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -36.02 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 52.9 t80 -64.91 -36.99 86.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -35.93 82.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 3.6 t80 -56.56 -49.99 73.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 172.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.86 -29.74 70.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 172.698 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.761 0.315 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.23 -31.59 56.49 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.72 1.613 . . . . 0.0 111.175 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.8 81.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.4 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.05 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 10' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 30' ' ' VAL . . . -64.22 -45.33 88.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.07 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.14 85.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.28 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.14 -41.47 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.48 -45.23 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.52 60.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.37 -43.88 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.65 -41.52 82.47 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.7 -43.04 94.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.17 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -67.74 -45.13 75.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.89 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.57 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.81 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.5 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.02 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 67.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.41 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -56.99 8.65 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.16 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.165 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -59.97 -54.06 50.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.48 -32.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.03 75.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.63 -41.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.59 -43.61 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -36.03 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 53.2 t80 -64.89 -37.04 86.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.92 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.1 77.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 3.7 t80 -56.45 -50.12 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 172.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -64.78 -29.67 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 172.737 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.816 0.341 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.15 -31.6 55.76 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.812 1.674 . . . . 0.0 111.149 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.74 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 79.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 10' ' ' ALA . . . . . 0.41 ' HB3' HG13 ' B' ' 30' ' ' VAL . . . -64.27 -45.3 88.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.13 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.14 85.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.27 -41.21 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.5 -33.29 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.49 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 -48.57 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.27 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.53 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.8 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 168.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.54 82.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.68 -43.02 94.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.192 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 26' ' ' TRP . . . . . 0.4 ' O ' HG21 ' S' ' 30' ' ' VAL . 23.7 m95 -67.84 -45.07 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.94 77.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.51 62.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.256 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.87 -28.83 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.225 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 30' ' ' VAL . . . . . 0.4 HG21 ' O ' ' S' ' 26' ' ' TRP . 22.1 t -64.7 -43.5 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.32 -44.03 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.77 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.265 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.06 -42.34 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.02 8.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.03 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.219 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.99 -54.16 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.75 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.12 75.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.14 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 111.214 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.62 -43.64 76.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.21 -36.08 83.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 53.2 t80 -65.04 -36.9 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.87 -35.89 82.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 3.6 t80 -56.57 -49.97 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 73.6 p -64.91 -29.69 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 172.661 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.796 0.331 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.14 -31.63 55.69 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.702 1.601 . . . . 0.0 111.147 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.13 -42.45 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 10' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' H' ' 30' ' ' VAL . . . -64.38 -45.26 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.81 72.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.48 -38.03 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.22 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.48 -33.29 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.33 90.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.07 -44.12 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.47 81.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.82 -25.55 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.4 -43.81 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 168.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.55 82.83 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.244 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.22 89.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.82 -45.04 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.95 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.66 -49.46 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.74 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 30' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' K' ' 10' ' ' ALA . 22.6 t -64.72 -43.54 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 172.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.34 -44.02 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.14 -51.91 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.96 -42.3 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.07 8.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.97 73.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.1 -54.01 51.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.6 -32.58 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.03 76.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.14 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.227 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.73 -43.52 76.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.93 82.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.266 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 53.3 t80 -65.08 -36.99 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.74 -35.94 82.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.252 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.94 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 3.6 t80 -56.46 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -64.85 -29.76 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 172.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.741 0.305 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.16 -31.56 55.6 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.667 1.578 . . . . 0.0 111.219 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.72 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.22 -42.47 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.08 96.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 10' ' ' ALA . . . . . 0.409 ' HB3' HG13 ' D' ' 30' ' ' VAL . . . -64.23 -45.34 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.98 -50.83 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.41 -38.12 85.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.33 -41.16 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.64 -33.16 70.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.05 -44.1 97.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.205 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.22 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.1 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.7 -25.59 60.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.3 -43.9 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.255 168.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.62 -41.56 82.33 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.11 94.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.224 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.2 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.0 76.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -43.84 77.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.69 -49.48 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.94 -28.77 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.175 -173.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 30' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' L' ' 10' ' ' ALA . 22.4 t -64.76 -43.5 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.94 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 -51.79 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.03 -42.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.02 8.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.48 -44.97 73.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 95.4 m -60.09 -54.03 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.61 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.96 77.0 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.253 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.53 76.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.94 82.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 42' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 53.4 t80 -65.0 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.03 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 45' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 3.7 t80 -56.47 -50.09 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.196 172.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -64.81 -29.68 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 172.685 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.746 0.307 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.09 -31.61 55.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.657 1.571 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.33 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.192 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -58.1 -50.76 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.25 86.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.48 -33.27 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.53 97.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.34 90.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.28 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.08 -44.14 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.48 -45.26 76.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.14 81.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.66 -25.57 60.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.245 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.34 -43.82 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.45 83.05 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.67 -43.04 94.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.23 89.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.71 -45.18 75.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.99 77.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.59 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.7 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.52 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.46 -43.94 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.23 -51.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.2 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.03 8.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.11 73.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.227 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -60.02 -54.03 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.68 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.83 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.19 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.221 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.57 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.2 -36.0 82.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 52.9 t80 -65.04 -36.93 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 173.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.0 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 3.7 t80 -56.53 -49.96 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.277 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -64.83 -29.7 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 172.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.21 -31.54 56.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.763 1.642 . . . . 0.0 111.221 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.76 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.189 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.92 96.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 10' ' ' ALA . . . . . 0.41 ' HB3' HG13 ' F' ' 30' ' ' VAL . . . -64.27 -45.3 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.06 -50.9 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.31 -38.2 86.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.11 98.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.63 -33.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.55 97.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.95 -44.19 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.26 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.17 81.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.5 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.43 -43.8 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.56 82.47 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.17 89.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.87 -45.04 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.98 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.52 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 30' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' N' ' 10' ' ' ALA . 22.6 t -64.71 -43.46 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.43 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.98 -42.41 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -57.01 8.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.08 73.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.105 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.06 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.254 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.56 -32.64 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.04 76.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.57 -43.53 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.01 82.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 53.4 t80 -64.97 -36.92 85.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 173.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 3.7 t80 -56.46 -50.1 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -64.81 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.207 172.706 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.808 0.337 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.19 -31.54 55.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.685 1.59 . . . . 0.0 111.2 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.43 79.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' G' ' 30' ' ' VAL . . . -64.33 -45.33 88.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.15 85.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.31 -41.18 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.47 -33.34 71.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.05 -41.6 97.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.34 90.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.03 -44.13 97.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.55 -45.19 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.68 -48.09 82.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.46 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -173.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.42 -43.79 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.242 168.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.59 83.1 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.1 94.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.18 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.1 89.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.85 -45.06 75.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.01 76.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.58 -49.54 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 30' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' J' ' 10' ' ' ALA . 22.5 t -64.72 -43.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 172.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.43 -43.98 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.03 -42.3 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.4 -57.06 8.57 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.05 -54.1 50.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.04 76.27 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.73 -43.49 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.35 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 53.3 t80 -65.03 -36.92 85.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -36.05 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.82 -34.16 77.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.98 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 172.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -64.83 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 172.747 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.17 -31.65 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.789 1.659 . . . . 0.0 111.144 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.78 81.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.3 79.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.97 97.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 10' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' D' ' 30' ' ' VAL . . . -64.33 -45.25 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.173 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.13 -50.86 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.09 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -41.18 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.5 -33.27 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.06 -41.62 97.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.53 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.22 175.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -44.18 97.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.49 81.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.25 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.06 82.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.78 -25.5 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.38 -43.84 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 168.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.64 82.67 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.52 -43.13 95.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.09 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.9 -45.08 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.89 77.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.59 -49.58 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' P' ' 10' ' ' ALA . 22.5 t -64.67 -43.5 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.39 -44.03 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.2 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.02 -42.41 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.06 8.49 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.32 -45.06 73.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.201 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -54.06 50.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.6 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.29 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.18 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.64 76.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.16 -36.03 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 52.9 t80 -64.94 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.9 -35.82 82.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.219 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -34.01 76.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 3.7 t80 -56.49 -50.03 72.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 75.1 p -64.89 -29.75 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.229 172.682 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.27 -31.5 56.47 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.642 1.561 . . . . 0.0 111.19 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.44 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.94 96.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 10' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' I' ' 30' ' ' VAL . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.8 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.1 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.17 98.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.264 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.53 -33.31 71.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.04 -41.58 97.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.38 90.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.01 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.205 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.17 77.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.213 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.72 -25.64 60.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.69 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 168.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.53 83.32 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.301 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.12 89.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.79 -45.18 75.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.6 -49.52 62.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.8 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 30' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' Q' ' 10' ' ' ALA . 22.5 t -64.73 -43.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.0 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.24 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.28 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.95 8.75 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -44.98 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.211 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 97.5 m -59.98 -54.04 50.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.63 -32.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.11 75.55 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.54 -41.13 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.56 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.97 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 53.3 t80 -64.98 -36.94 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 173.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.01 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 3.7 t80 -56.52 -49.99 73.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 172.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.23 -31.45 55.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.683 1.588 . . . . 0.0 111.238 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.75 82.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.38 79.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.95 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.239 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.11 -50.76 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.35 -38.26 86.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.19 -41.23 98.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.47 -33.28 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.03 -41.57 97.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.254 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.49 90.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.16 97.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.269 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.23 77.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.5 60.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.83 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.6 82.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.06 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.223 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.73 -45.15 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.56 -49.64 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.85 -28.69 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.284 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.77 -43.58 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.38 -43.91 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.81 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.05 -42.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.08 8.52 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.02 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.22 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -59.97 -54.1 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.248 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.54 -32.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.91 -48.11 74.95 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.55 -41.16 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.237 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.57 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.26 -35.93 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.24 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.15 -36.79 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.88 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.88 -34.12 77.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.46 -50.01 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.83 -29.79 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.23 -31.54 56.22 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.636 1.557 . . . . 0.0 111.218 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.36 88.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 85.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.2 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.18 98.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.15 -41.51 97.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.94 -44.21 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.55 -45.18 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.15 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.5 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.38 -43.83 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 168.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.45 82.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.71 -42.94 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.182 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.08 89.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.165 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.92 -45.12 75.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.48 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.94 -28.8 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.67 -43.43 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.21 -51.81 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.01 -42.29 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.08 8.49 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -53.98 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.09 75.55 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.55 -41.16 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 111.239 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.09 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.04 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.22 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.53 -49.92 73.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -64.93 -29.72 70.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.181 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 172.742 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.788 0.327 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.22 -31.48 55.82 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.677 1.585 . . . . 0.0 111.237 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.47 80.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.227 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.26 88.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.194 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.81 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.38 -38.1 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.249 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.14 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.6 -33.28 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.54 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.44 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.0 -44.07 97.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.3 76.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.147 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.59 -48.1 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.58 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.38 -43.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 168.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.59 83.25 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.05 95.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.755 0.312 . . . . 0.0 111.229 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.16 89.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.05 75.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.248 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.254 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.54 62.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.92 -28.81 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -173.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.68 -43.51 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.4 -43.91 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.02 8.59 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.98 73.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.11 -54.03 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.63 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.99 76.77 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.49 -41.28 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.54 -43.57 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.34 -35.94 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -64.96 -37.0 86.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.9 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.232 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 172.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.81 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.244 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 172.706 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.25 -31.57 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.74 1.626 . . . . 0.0 111.194 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.74 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.257 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.4 79.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.32 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.12 -50.78 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.34 -41.15 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.57 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.238 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.34 90.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.46 -45.31 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.13 82.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.68 -25.53 60.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.44 -43.73 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.5 83.42 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.61 -43.02 95.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 111.22 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.13 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.264 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.78 -45.16 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.96 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.46 62.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.86 -28.86 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.69 -43.49 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.34 -43.98 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.23 -51.71 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.15 -42.29 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.54 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.07 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -54.03 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -74.55 -32.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -48.0 76.93 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.58 -41.1 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.51 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -36.01 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -64.98 -37.0 86.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.72 -35.98 82.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.42 -50.05 72.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.88 -29.72 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.13 -31.49 55.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.681 1.587 . . . . 0.0 111.233 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.79 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.4 80.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.98 96.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.34 88.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.05 -50.82 72.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.2 86.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.21 -41.21 98.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.52 -33.26 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.06 -44.0 97.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 96.0 m -55.56 -45.27 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.57 -48.04 82.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.285 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.62 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.32 -43.85 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 168.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.7 -41.47 82.7 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.06 94.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 111.198 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.245 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.81 -45.1 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.93 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.52 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.8 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.68 -43.49 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 172.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.44 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.0 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.12 8.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.0 74.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.327 . . . . 0.0 111.29 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.02 -54.08 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.64 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.0 77.07 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.61 -41.09 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.192 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.59 -43.6 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -35.92 82.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.07 -36.94 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.81 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.07 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.51 -50.08 72.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 75.2 p -64.87 -29.65 70.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 172.665 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.842 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.15 -31.61 55.75 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.744 1.629 . . . . 0.0 111.144 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.29 -42.34 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.202 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.06 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.41 88.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.78 72.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.21 86.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.11 98.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.59 -33.25 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.12 -41.52 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.45 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.248 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.48 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -55.39 -45.25 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.289 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.01 82.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.198 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.34 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.52 83.26 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 171.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.22 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.75 -45.15 75.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.95 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.47 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.0 -28.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 -173.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.7 -43.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.201 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.44 -43.9 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.29 -51.81 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.96 -42.29 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.269 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.44 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.03 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.175 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -54.01 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.69 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.05 76.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.15 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.171 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.7 -43.54 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.05 82.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.9 -36.98 86.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.91 -35.89 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.03 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.263 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.56 -49.96 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -29.7 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 172.739 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.825 0.345 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.1 -31.62 55.21 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.706 1.604 . . . . 0.0 111.242 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.65 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.44 79.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.25 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.14 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.15 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.47 -33.36 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.99 -41.57 97.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.37 90.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.21 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.05 -44.06 97.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.6 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.47 -45.21 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.63 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.31 -43.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.07 94.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.22 89.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.8 -45.07 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.83 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.67 -49.56 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.62 -43.48 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.277 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.4 -43.94 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.27 -51.77 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.97 -42.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.236 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.45 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.09 73.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.71 0.291 . . . . 0.0 111.113 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.02 -54.02 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.256 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.52 -32.66 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.238 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.02 76.52 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.55 -41.14 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.233 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.59 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.22 -36.04 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.238 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.75 -35.9 82.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.98 76.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.51 -50.06 72.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 73.1 p -64.75 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 172.745 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.857 0.36 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -31.55 56.45 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.657 1.571 . . . . 0.0 111.227 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.81 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.29 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.3 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.12 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.17 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.52 -33.27 70.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.12 -41.49 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.227 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.38 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.04 -44.11 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.48 81.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -55.57 -45.21 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.5 60.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.39 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.63 82.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.54 -43.07 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.9 -45.02 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.67 -49.55 62.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.74 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -173.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.76 -43.45 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.24 -51.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.42 94.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.05 -54.08 50.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.5 -32.66 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.14 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 111.22 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.53 -43.68 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.23 -35.99 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.99 -36.99 86.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.85 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.05 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.45 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 73.3 p -64.92 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 172.702 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.21 -31.56 56.13 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.707 1.604 . . . . 0.0 111.206 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.7 81.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.38 79.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.96 96.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.43 88.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.02 -50.84 72.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -41.11 98.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.49 -33.39 71.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.51 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.42 90.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.98 -44.18 97.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.46 81.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.47 -45.24 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.76 -25.46 60.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -173.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.48 -43.73 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.54 83.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 111.138 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.22 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.73 -45.18 75.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.229 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.224 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.69 -49.45 62.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.98 -28.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.67 -43.58 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -43.9 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.33 -51.74 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.41 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.14 8.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.11 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.167 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -54.01 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.72 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.97 76.87 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.59 -41.15 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.157 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.6 -43.62 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.28 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.08 -36.91 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.92 -35.81 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.02 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.237 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.54 -50.03 73.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.9 -29.66 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 172.71 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.86 -28.88 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.69 1.593 . . . . 0.0 111.208 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.48 79.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.23 -36.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.94 99.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 174.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.13 98.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.27 -41.05 96.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.5 -42.56 92.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -42.02 96.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.29 -47.35 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.52 92.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -35.74 79.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -58.54 -43.15 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.84 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.4 -37.78 87.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.56 -42.97 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.88 94.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.8 -39.32 90.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.56 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.211 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.14 -40.13 84.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.82 72.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.64 28.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.7 -26.24 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.09 -48.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.49 -41.85 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.61 -39.4 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -52.44 26.52 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.61 93.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.81 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.187 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -45.51 87.29 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.32 -39.54 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.73 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 HD21 ' HD2' ' A' ' 44' ' ' LYS . 89.7 mt -64.98 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.5 -39.04 82.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.43 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' HD2' HD21 ' A' ' 41' ' ' LEU . 68.5 mttm -64.45 -39.22 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.54 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 167.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -54.76 -41.87 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.663 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.766 0.317 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.86 -28.92 50.47 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.699 1.599 . . . . 0.0 111.187 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.49 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 173.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.7 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.08 99.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.27 98.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.16 -41.1 96.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.5 -42.56 91.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.28 -41.61 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.43 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.57 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.92 -35.7 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.216 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.58 -43.15 89.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.89 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.4 -37.85 87.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.51 -42.98 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.04 -43.74 94.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.6 68.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.02 -40.16 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.91 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.64 27.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.96 -48.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.67 -26.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -172.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.23 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.51 -41.81 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.291 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.66 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.46 26.21 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.51 92.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 111.164 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.34 -55.89 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.27 -41.08 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.264 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.52 86.99 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.35 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.32 -41.73 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.4 HD21 ' HD2' ' B' ' 44' ' ' LYS . 89.6 mt -64.99 -36.57 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 175.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.52 -39.08 82.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD21 ' B' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 176.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.62 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.88 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.192 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.222 178.704 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.89 -28.85 50.31 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.738 1.626 . . . . 0.0 111.191 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.5 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.51 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.07 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.06 96.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.47 -42.53 92.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.277 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -42.11 96.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.36 -47.3 84.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.52 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.98 -35.72 78.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.33 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.16 89.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.85 87.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.214 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.47 -43.08 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.86 94.63 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.27 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.195 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.62 68.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.206 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.18 -40.16 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.96 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.11 -43.64 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.72 -26.17 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -172.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.52 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.65 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.98 -52.44 26.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.63 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.03 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.47 87.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.36 -39.49 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.25 -41.82 93.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' C' ' 44' ' ' LYS . 89.4 mt -64.85 -36.67 85.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.05 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' C' ' 41' ' ' LEU . 68.5 mttm -64.47 -39.2 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 176.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.48 -49.71 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.87 -41.79 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.659 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.848 0.356 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.8 -28.86 51.05 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.658 1.572 . . . . 0.0 111.253 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.51 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.58 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.06 99.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.16 98.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.239 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.55 -42.51 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.01 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.62 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.57 91.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.232 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.61 -43.1 89.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.93 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.34 -37.89 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.49 -43.05 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.83 -43.93 94.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.23 90.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.237 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.55 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.14 -40.09 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.28 -43.64 27.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.96 -48.83 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.63 -26.19 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -172.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.26 -48.2 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.91 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.6 -39.36 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.05 -52.41 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.63 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.79 27.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.12 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.57 86.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.28 -39.54 84.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.68 94.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.244 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' D' ' 44' ' ' LYS . 90.2 mt -65.09 -36.47 84.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.51 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' D' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.212 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.69 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.229 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.81 -41.83 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 178.737 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.756 0.313 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.87 -28.84 50.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.685 1.59 . . . . 0.0 111.197 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.49 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.205 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.09 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.34 -40.95 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 75.3 m -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.43 -47.32 84.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.5 92.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.94 -35.68 78.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.3 96.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.6 -43.22 89.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.24 -48.96 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.33 -37.9 87.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.43 -43.08 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.74 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.97 -39.22 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.746 0.308 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.66 68.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.03 -40.19 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.87 -37.9 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.243 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.72 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -172.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.22 -48.08 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.66 -41.81 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.51 25.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -55.32 -55.83 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.18 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.52 86.82 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.25 -39.55 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.72 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' E' ' 44' ' ' LYS . 89.8 mt -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.222 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.99 82.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.55 72.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' E' ' 41' ' ' LEU . 68.5 mttm -64.33 -39.25 93.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 167.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.8 -41.84 71.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.699 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.78 -28.94 51.17 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.724 1.616 . . . . 0.0 111.19 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.41 79.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.66 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.08 96.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.233 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.48 -42.54 92.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.269 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.26 -42.04 96.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.69 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.34 84.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.69 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.32 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.61 -43.17 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.86 79.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.47 -43.11 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.89 94.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.29 90.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.6 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.1 -40.12 84.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.92 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.25 -43.62 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.03 -48.74 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.22 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.07 -48.29 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.9 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.58 -39.45 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.46 26.01 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 92.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.743 0.306 . . . . 0.0 111.193 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.35 -55.78 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.14 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.58 86.54 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.28 -39.53 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.97 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.59 -38.95 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.58 -34.45 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.26 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.69 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.259 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.277 178.594 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.87 -28.9 50.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.52 79.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.54 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.26 98.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.2 -41.06 96.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.48 -42.52 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.37 -41.95 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.53 96.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.47 -47.25 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.78 79.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.39 96.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.65 -43.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.43 -48.87 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.84 87.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.84 94.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.9 -39.21 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.59 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.09 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.82 72.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.71 27.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.84 -48.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.73 -26.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.09 -48.26 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.55 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.57 -39.49 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 84.4 m -55.43 -55.77 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.33 -41.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.58 86.48 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.28 -39.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.209 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.65 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' G' ' 44' ' ' LYS . 89.6 mt -65.0 -36.66 85.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 175.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.45 -39.05 82.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 171.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' G' ' 41' ' ' LEU . 68.5 mttm -64.34 -39.23 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.49 -49.71 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.84 -41.82 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.211 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 178.658 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.9 -28.88 50.17 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.201 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.53 79.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 173.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.25 -36.67 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.1 99.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.19 98.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.1 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.46 91.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.3 -42.07 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.61 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.34 84.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.58 91.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.94 -35.71 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.36 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.14 89.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.88 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.42 -37.86 87.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.202 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -43.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.81 94.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.95 -39.22 90.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.64 68.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.78 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.35 -43.56 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.187 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.85 -48.94 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.2 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.2 -48.25 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.51 -41.8 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.64 -39.51 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.53 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.53 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.41 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.11 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.55 86.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.27 -41.77 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.93 -36.63 85.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.56 -34.48 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.42 -39.12 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.21 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.7 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.81 -41.86 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 178.683 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.898 0.38 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.95 -28.87 49.79 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.702 1.601 . . . . 0.0 111.168 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.39 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.39 -36.6 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.07 98.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.02 96.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.52 -42.47 91.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.27 -42.11 96.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.65 96.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.37 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.5 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -68.04 -35.7 78.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.58 -43.12 89.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.79 80.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.41 -37.87 87.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.48 -43.09 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.194 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.92 94.53 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.86 -39.3 90.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.17 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.68 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.09 -40.09 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.32 -43.61 27.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.92 -48.84 86.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.62 -26.25 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -172.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.52 -41.87 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.65 -39.37 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.96 -52.47 26.1 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.52 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 85.9 m -55.34 -55.83 27.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.4 -41.09 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.56 86.74 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.29 -39.56 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.215 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' I' ' 44' ' ' LYS . 89.9 mt -64.93 -36.56 84.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -38.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.57 -34.51 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' I' ' 41' ' ' LEU . 68.5 mttm -64.38 -39.17 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.61 -49.63 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.205 167.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.8 -41.85 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 178.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.9 -28.86 50.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.671 1.581 . . . . 0.0 111.22 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.28 -36.67 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.266 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.19 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.06 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.5 -42.57 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.31 -47.33 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.62 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.71 78.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.27 96.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.234 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.6 -43.17 89.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.89 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -42.99 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.23 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.78 94.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.9 -39.21 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.251 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.56 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.07 -40.2 84.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.85 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.65 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.73 -26.16 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -172.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.228 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.209 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.74 -39.36 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.53 93.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.5 86.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.32 -39.56 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.79 94.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 41' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' J' ' 44' ' ' LYS . 89.3 mt -64.88 -36.6 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.59 -39.0 82.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.5 72.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD21 ' J' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.24 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.291 175.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.5 -49.72 71.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.253 167.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 87.4 m -54.74 -41.78 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.691 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.891 0.376 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.86 -28.85 50.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.669 1.579 . . . . 0.0 111.206 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.44 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.28 -36.61 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.259 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.03 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.08 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.46 -42.51 92.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.232 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.35 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.52 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.9 -35.66 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.42 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 97.9 m -58.49 -43.18 88.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.41 -37.74 86.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.59 -42.94 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.72 95.0 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.92 -39.36 90.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.194 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.56 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.13 84.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.228 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.01 -37.86 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.69 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.8 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.69 -26.25 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -172.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.09 -48.27 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.54 -41.77 93.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.62 -39.5 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.42 26.13 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.57 93.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.39 -55.81 27.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.228 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.13 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.57 86.49 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.23 -39.56 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.96 -36.53 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.56 -39.03 82.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.45 72.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.35 -39.29 93.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.61 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 167.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.8 -41.92 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 178.67 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.73 -28.98 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.7 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.09 99.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.18 98.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.21 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.57 91.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -41.96 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.32 -41.58 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.42 -47.3 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.49 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.88 -35.73 79.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.258 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.59 -43.18 89.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.75 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.55 -43.08 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.83 94.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.21 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.278 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.09 -40.14 84.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.64 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.243 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.99 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.26 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.16 -48.2 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.58 -41.79 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.65 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.38 26.13 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.57 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.38 -55.85 26.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.29 -41.07 83.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.6 86.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.58 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.166 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.79 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 41' ' ' LEU . . . . . 0.408 HD21 ' HD2' ' L' ' 44' ' ' LYS . 89.8 mt -64.91 -36.66 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 42' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.43 -39.09 82.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.262 171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.45 -34.59 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD21 ' L' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 176.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.63 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.87 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.194 178.744 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -65.86 -28.85 50.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.689 1.593 . . . . 0.0 111.258 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.59 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.186 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.07 99.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.14 96.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.56 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -42.08 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.19 -41.65 96.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.3 84.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.45 92.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.71 78.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.31 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.55 -43.2 89.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.92 79.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.76 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.259 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.61 -43.03 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.81 94.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.4 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.71 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.05 -40.09 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.94 72.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.16 -43.71 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.66 -26.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -172.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.19 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.59 -39.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.1 -52.41 26.95 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.6 93.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.307 . . . . 0.0 111.216 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.34 -55.76 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.59 86.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.63 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 111.192 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.22 -41.81 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' M' ' 44' ' ' LYS . 89.7 mt -65.06 -36.44 84.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.227 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.58 -39.03 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 171.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.63 -34.47 72.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' M' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.26 93.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.207 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.52 -49.64 72.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.82 -41.88 71.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 178.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.785 0.326 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.88 -28.84 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.682 1.588 . . . . 0.0 111.213 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.5 79.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.71 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.12 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.28 98.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.04 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.48 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.66 96.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.36 84.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.54 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.31 -48.89 79.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -62.4 -37.82 87.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.01 -43.72 94.92 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.92 -39.23 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.07 -40.07 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.205 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.81 72.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.21 -43.71 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.03 -48.7 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.69 -26.25 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.53 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.58 -39.45 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.5 25.8 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.58 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.247 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.33 -55.85 26.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -40.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.62 86.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.2 -39.55 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.266 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.4 -41.79 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.0 82.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.53 -34.46 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.43 -39.25 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 167.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.76 -41.83 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 178.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -65.84 -28.97 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.719 1.613 . . . . 0.0 111.144 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 174.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.62 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.22 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.17 -41.11 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.55 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.61 96.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.47 83.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.61 91.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.79 79.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.28 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 96.7 m -58.64 -43.1 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.92 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.44 -37.71 86.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.76 94.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.208 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.68 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.01 -40.16 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.65 27.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.88 -48.87 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.31 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.1 -48.21 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.6 -39.45 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.55 25.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.59 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.88 26.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.24 -41.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.61 86.36 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 111.219 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 41' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' O' ' 44' ' ' LYS . 89.9 mt -65.02 -36.5 84.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 175.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.72 -38.86 82.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 171.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.65 -34.44 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD21 ' O' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 178.736 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.767 0.317 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.81 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.72 1.614 . . . . 0.0 111.191 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.44 79.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.42 -36.51 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.2 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.22 -41.11 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.49 -42.55 92.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.31 -42.03 96.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.27 -41.51 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.48 -47.31 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.43 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.95 -35.72 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.34 96.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.239 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -58.55 -43.15 89.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.265 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.36 -48.91 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.44 -37.75 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -42.98 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.227 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.85 94.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.85 -39.3 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.257 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.7 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -58.99 -40.25 84.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.212 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.88 71.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.24 -43.67 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.92 -48.86 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.233 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.6 -26.24 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.56 -41.78 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.66 -39.52 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.36 26.34 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.54 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.33 -55.88 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.08 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.245 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.62 86.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.3 -41.81 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . 0.401 HD21 ' HD2' ' P' ' 44' ' ' LYS . 89.8 mt -64.9 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 175.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.54 -38.99 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.64 -34.42 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 44' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' P' ' 41' ' ' LEU . 68.5 mttm -64.54 -39.16 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.53 -49.67 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.185 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -54.79 -41.85 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.25 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.29 178.622 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.75 -28.98 51.33 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.706 1.604 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.66 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.28 98.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.03 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.57 91.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.03 96.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.59 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.28 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.5 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.47 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.54 -43.19 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.39 -37.81 87.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.49 -43.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.81 94.69 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.82 -39.32 90.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.224 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.54 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.185 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.26 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.9 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.65 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.04 -48.78 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.57 -26.33 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.225 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.49 -41.9 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.246 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.55 -39.52 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.43 25.81 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.49 92.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.179 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.4 -55.77 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -41.03 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.52 87.03 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.24 -39.61 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.188 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.25 -41.79 93.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 41' ' ' LEU . . . . . 0.408 HD21 ' HD2' ' Q' ' 44' ' ' LYS . 89.5 mt -64.97 -36.64 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 175.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.52 -39.06 82.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.47 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD21 ' Q' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.27 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.53 -49.64 72.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.89 -41.83 71.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 178.67 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.82 -28.99 50.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.615 . . . . 0.0 111.168 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.49 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.21 -36.69 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.18 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.17 -41.12 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.57 -42.54 91.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.6 96.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.3 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.52 92.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.92 -35.67 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.47 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.59 -43.02 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.25 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.87 79.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.47 -37.79 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.07 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.84 94.72 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.37 90.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -51.65 68.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.04 -40.14 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.91 72.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.15 -43.75 27.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.91 -48.78 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.66 -26.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -172.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.1 -48.19 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.61 -41.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.63 -39.49 83.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.42 26.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.6 93.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.28 -55.88 26.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.07 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.45 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.28 -39.57 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 111.155 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.77 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' R' ' 44' ' ' LYS . 89.8 mt -65.01 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.06 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.44 72.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' R' ' 41' ' ' LEU . 68.5 mttm -64.42 -39.26 93.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' R' R ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.56 -49.65 72.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 167.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.79 -41.87 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.694 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -65.78 -28.88 51.18 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.726 1.617 . . . . 0.0 111.248 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.52 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.64 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.01 99.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.225 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.24 -41.09 96.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.56 -42.45 91.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.26 -42.1 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.39 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.62 91.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.96 -35.69 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.6 -43.09 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.39 -37.9 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.05 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.29 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.169 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.63 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.17 84.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.88 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.66 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.97 -48.79 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.68 -26.22 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.25 -48.18 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.58 -39.46 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.217 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.53 25.64 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.51 93.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.257 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.38 -55.9 26.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.32 -41.15 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.61 86.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.25 -39.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.219 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.1 -36.43 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 42' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.45 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.29 93.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.64 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.78 -41.83 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 178.731 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.87 -28.91 50.41 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.688 1.592 . . . . 0.0 111.201 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.46 79.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.05 96.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.52 -42.5 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.31 -41.97 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.58 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.237 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.43 96.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -43.16 88.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 174.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.47 -48.77 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.46 -37.75 87.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.08 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.234 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.8 94.78 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.65 68.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -58.99 -40.21 84.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.216 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.77 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.23 -43.67 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.98 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.61 -26.28 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.17 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.57 -39.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.196 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.44 25.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.62 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.26 -55.9 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.1 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.56 86.38 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.34 -39.53 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.81 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.49 -39.07 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.59 -49.67 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.74 -41.88 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 178.718 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.85 -28.93 50.61 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.741 1.627 . . . . 0.0 111.174 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.51 79.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.219 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.7 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.21 99.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.26 98.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.62 92.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.229 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.17 -42.1 96.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.25 -41.58 96.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.43 -47.34 84.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.52 92.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.93 -35.67 78.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.45 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.51 -43.12 89.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -62.32 -37.85 87.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.82 94.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.86 -39.31 90.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.57 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.83 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.24 -43.68 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.67 -26.19 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.24 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.57 -41.75 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.66 -39.47 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.45 26.1 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.69 93.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.12 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.62 86.46 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.24 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.77 94.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' U' ' 44' ' ' LYS . 89.3 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' U' U ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -39.04 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.188 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.48 -34.58 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' U' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.25 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' U' U ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.43 -49.69 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.267 167.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.82 -41.81 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 178.644 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.734 0.302 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.84 -28.88 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.704 1.603 . . . . 0.0 111.198 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.5 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 173.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.63 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.1 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.13 98.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.07 96.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.48 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.58 97.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.278 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.45 -47.31 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.48 92.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.97 -35.68 78.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.33 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.67 -43.14 89.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.8 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.95 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -176.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.45 -43.12 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.85 94.72 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.86 -39.27 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.6 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.04 -40.19 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.87 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.63 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.83 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.71 -26.28 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -172.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.21 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.59 -41.84 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.6 -39.47 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.84 -52.48 25.52 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.52 92.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -55.44 -55.75 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.07 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -45.57 86.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.182 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.79 93.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' V' ' 44' ' ' LYS . 89.7 mt -64.95 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' V' V ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.57 -38.99 82.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.61 -34.47 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' V' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.28 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' V' V ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.58 -49.58 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 167.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.86 -41.79 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.242 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 178.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.93 49.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.7 1.6 . . . . 0.0 111.18 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.36 -36.55 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.04 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.226 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.21 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.13 -41.16 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.52 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.29 -41.56 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.36 83.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.51 92.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.72 78.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 96.8 m -58.6 -43.15 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.77 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.55 -43.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.75 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.8 -39.3 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.22 -40.09 84.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.81 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.23 -43.68 27.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.256 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.9 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.286 -173.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.22 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.249 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.2 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.38 26.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 85.2 m -55.25 -55.92 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.03 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -45.68 86.03 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.34 -41.74 94.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.01 -36.55 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.61 -38.97 82.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 171.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.42 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.21 93.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.54 -49.66 72.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 167.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.76 -41.88 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 178.662 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.9 -28.89 50.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.714 1.609 . . . . 0.0 111.167 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.53 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.26 -36.68 69.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.266 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.15 98.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.11 96.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.04 96.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.28 -41.58 96.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.39 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.51 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.96 -35.76 78.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.31 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.53 -43.18 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.218 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.82 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.55 -37.76 87.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.51 -43.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.83 94.75 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.59 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.13 -40.16 84.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.81 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.77 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.85 -48.88 85.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -173.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.249 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.16 -48.16 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.256 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.84 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.67 -39.43 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.45 25.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.61 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.33 -55.83 27.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.12 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.58 86.79 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.53 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.199 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.74 94.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 41' ' ' LEU . . . . . 0.406 HD21 ' HD2' ' X' ' 44' ' ' LYS . 89.7 mt -65.04 -36.5 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.56 -39.04 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 171.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 44' ' ' LYS . . . . . 0.406 ' HD2' HD21 ' X' ' 41' ' ' LEU . 68.5 mttm -64.39 -39.18 93.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.62 -49.66 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 167.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 178.697 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.93 -28.78 50.02 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.666 1.577 . . . . 0.0 111.16 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.48 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.64 68.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.2 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.14 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.28 -40.99 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.62 -42.46 91.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.6 96.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.32 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.5 92.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.226 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.89 -35.73 79.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.38 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.61 -43.16 89.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.46 -37.81 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.51 -43.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.86 94.69 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.85 -39.35 90.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 111.2 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.61 68.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.13 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.222 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.84 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.64 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.97 -48.81 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.25 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.13 -48.21 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.8 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.61 -39.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.52 92.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 83.7 m -55.41 -55.83 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -45.59 86.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.26 -39.57 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.189 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 41' ' ' LEU . . . . . 0.401 HD21 ' HD2' ' Y' ' 44' ' ' LYS . 89.7 mt -65.02 -36.5 84.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.55 -39.1 82.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.54 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 44' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' Y' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.26 93.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 176.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.65 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 167.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.85 -41.77 71.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.273 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 178.617 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.92 -28.87 50.07 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.193 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.58 79.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.64 69.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.1 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 174.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.31 -41.03 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.45 91.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.08 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.32 84.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.58 91.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.86 -35.82 79.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.32 96.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.56 -43.21 89.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.35 -37.88 87.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.21 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.87 94.77 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.89 -39.32 90.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.184 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.54 69.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.296 175.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -59.14 -40.14 84.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.218 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.22 -43.66 27.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.94 -48.81 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.66 -26.27 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.21 -172.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.05 -48.31 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.51 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.7 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.55 25.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.64 93.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 84.6 m -55.45 -55.71 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.196 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.47 -41.09 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.54 86.48 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.31 -39.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.24 -41.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' Z' ' 44' ' ' LYS . 89.6 mt -64.98 -36.53 84.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.25 175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Z' Z ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.46 -39.09 82.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.54 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' Z' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Z' Z ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.62 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 167.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.91 -41.75 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.662 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.84 -28.92 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.707 1.604 . . . . 0.0 111.177 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.45 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.68 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.232 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.0 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.29 -42.09 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.18 -41.63 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.235 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.29 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.43 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.99 -35.66 78.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.57 -43.2 89.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.86 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.4 -37.78 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.49 -43.09 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.84 94.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.23 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 111.27 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.66 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.05 -40.17 84.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.85 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.18 -43.66 27.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.96 -48.87 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -173.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 28.8 m -70.65 -26.21 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.2 -48.13 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.61 -41.84 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.57 -39.58 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.44 25.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.56 92.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.35 -55.77 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.39 -41.09 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.55 86.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.35 -41.67 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.281 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.55 -38.98 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.222 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.67 -34.47 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.36 93.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.67 71.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 167.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.77 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.85 -28.87 50.65 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.746 1.631 . . . . 0.0 111.161 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.49 79.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.55 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.02 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.16 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.58 -42.4 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.38 -42.03 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.3 -41.53 96.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 96.4 m -58.59 -43.07 89.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.5 -37.71 87.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.51 -43.07 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.89 94.6 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.87 -39.26 90.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.63 68.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.06 -40.1 84.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.64 27.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 -26.2 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.22 -48.19 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.65 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.47 25.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 93.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 86.1 m -55.33 -55.76 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.06 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -45.56 86.99 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 85.3 mt -66.23 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 111.239 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.2 -41.9 93.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.88 -36.63 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.187 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.02 82.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.44 72.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.193 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.58 -49.66 72.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.79 -41.87 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 178.765 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.86 -28.81 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.709 1.606 . . . . 0.0 111.198 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.48 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.61 68.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.225 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.31 -41.04 96.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.09 96.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.63 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.31 -47.38 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.53 91.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.67 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.36 96.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.57 -43.17 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.8 80.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.81 87.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.47 -43.15 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.75 94.78 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.91 -39.32 90.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.01 -40.22 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.83 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.26 -43.68 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.98 -48.75 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.63 -26.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -172.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.47 -41.95 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -39.4 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.48 26.11 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 111.219 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.28 -55.86 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.35 -41.08 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.6 86.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.8 94.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.62 -39.02 82.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.47 -34.54 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.31 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.5 -49.69 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 167.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.79 -41.89 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.332 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.84 -28.84 50.71 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.663 1.575 . . . . 0.0 111.278 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.53 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.66 68.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.47 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.08 96.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.23 -41.62 96.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.35 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.52 92.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.9 -35.74 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.55 -43.19 89.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -62.43 -37.8 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.53 -43.02 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.8 94.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.21 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.59 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.03 -40.16 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.81 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.22 -43.68 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.94 -48.88 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.6 -26.23 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.1 -48.21 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.64 -41.82 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.61 -39.41 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.44 26.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.55 92.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.774 0.321 . . . . 0.0 111.172 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 84.0 m -55.36 -55.84 26.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.06 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.67 86.0 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.57 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 111.244 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.72 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.96 -36.54 84.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.89 82.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 171.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.66 -34.39 71.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.61 -49.64 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 167.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.88 -28.95 50.33 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.724 1.616 . . . . 0.0 111.165 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.45 80.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.61 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.208 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.12 96.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.04 96.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.32 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.6 91.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.81 -35.78 79.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.39 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.52 -43.2 89.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.28 -48.92 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.45 -37.77 87.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 -176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.49 -43.02 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.99 -43.88 94.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.76 -39.33 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.66 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.02 -40.12 84.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.89 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.08 -43.67 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.93 -48.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.14 -48.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.51 -41.85 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.64 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.4 26.38 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.53 92.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.182 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.35 -55.85 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.13 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.62 86.28 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.27 -39.56 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 111.18 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.33 -41.71 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.99 -36.61 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -39.09 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.47 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.52 -49.67 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.209 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.83 -41.91 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 178.665 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.848 0.356 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.93 -28.79 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.716 1.611 . . . . 0.0 111.159 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.46 79.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -72.29 -36.67 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.98 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.197 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.06 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.256 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -42.09 96.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.62 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.38 -47.24 84.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.59 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 84.5 p -67.89 -35.72 78.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.47 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.57 -43.2 89.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.81 80.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.87 87.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.41 -43.14 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.87 94.58 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.88 -39.27 90.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.2 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.59 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.12 -40.17 84.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.65 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.94 -48.87 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.29 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.16 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.62 -41.75 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.66 -39.46 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.44 26.16 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.53 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 86.3 m -55.36 -55.84 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.1 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.63 86.33 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.25 -39.56 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.79 94.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.07 82.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.25 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.22 93.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.56 -49.76 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.72 -41.84 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.249 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.657 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.96 -28.73 49.8 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.695 1.597 . . . . 0.0 111.191 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.43 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.68 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.03 96.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.55 -42.6 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.2 -42.1 96.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.24 -41.64 96.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.26 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.257 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.48 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.165 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.43 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.49 -43.19 88.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.41 -48.76 80.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.53 -37.73 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.58 -43.04 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.81 94.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.233 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.02 -40.16 84.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.83 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.74 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.86 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.65 -26.23 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -172.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.55 -41.79 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.78 -39.31 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.59 25.46 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.63 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.21 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -55.24 -55.83 26.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.08 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.228 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -39.52 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 111.184 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.39 -41.72 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.53 -39.06 82.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.47 72.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.08 93.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.6 -49.66 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.79 -41.9 71.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 178.65 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.9 -28.8 50.28 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.677 1.584 . . . . 0.0 111.221 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.43 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.53 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.11 99.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.11 98.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.28 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.49 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.225 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.35 -41.99 96.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.34 -41.57 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.44 -47.21 84.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.237 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.49 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.97 -35.7 78.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.41 96.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.68 -43.05 89.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.44 -48.79 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.265 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.43 -37.8 87.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.52 -43.04 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.89 94.58 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.34 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.63 68.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -58.96 -40.25 84.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.75 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.88 -48.83 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.28 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.65 -41.78 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.62 -39.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.81 -52.54 25.18 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.53 93.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.37 -55.76 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.215 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.51 86.96 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.34 -39.49 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.36 -41.74 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.92 -36.62 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.49 -39.02 82.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 171.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.56 72.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.25 93.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.48 -49.73 71.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 167.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.87 -28.84 50.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.236 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.26 -36.59 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.2 98.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.23 -41.13 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.43 -42.58 92.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.2 -42.09 96.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.63 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.37 -47.29 84.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.55 91.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.41 96.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.57 -43.09 89.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.85 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.48 -37.76 87.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -176.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.48 -43.09 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.84 94.71 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.85 -39.29 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.65 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.274 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.82 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.19 -43.7 27.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.97 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -26.41 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.13 -48.23 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.62 -41.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.6 -39.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.46 25.87 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.57 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.3 -55.82 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.24 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.14 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.46 87.13 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.33 -39.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.193 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.75 94.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.173 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.61 -39.02 82.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.53 72.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.33 93.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.46 -49.71 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 167.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.82 -41.82 71.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 178.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.88 52.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.716 1.611 . . . . 0.0 111.17 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.16 87.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.19 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.86 91.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.95 93.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.56 97.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.53 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -61.89 -41.46 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 HD22 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -73.99 -31.15 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.39 -44.87 95.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.51 92.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.8 95.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.24 71.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.98 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.22 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.25 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.1 89.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.84 -35.08 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 111.171 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.22 -40.04 96.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.248 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.47 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.6 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 HG22 HD13 ' F' ' 39' ' ' ILE . 53.3 t -64.87 -44.43 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -173.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.94 -45.35 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.24 -48.04 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.224 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.89 -47.99 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.237 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' HA2' HD22 ' A' ' 14' ' ' LEU . . . -51.61 -48.68 49.02 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.09 75.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.35 65.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.61 -35.76 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.25 87.95 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.42 HD13 HG22 ' E' ' 29' ' ' VAL . 38.2 mm -66.99 -41.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.46 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 44.9 t80 -62.88 -39.13 93.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.41 79.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.24 -37.22 86.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 171.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.222 175.05 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.806 0.336 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.19 -32.92 52.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.747 1.631 . . . . 0.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.1 -42.09 93.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.8 91.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.95 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.53 97.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.89 -36.62 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.34 97.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.475 HD22 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.94 -31.35 63.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.13 -44.96 94.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.83 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.71 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.243 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.24 71.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.43 -47.97 79.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.23 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.65 -42.33 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.12 89.66 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.87 -35.03 76.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.04 95.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.24 -40.07 96.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.38 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.97 -50.64 67.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.428 HG22 HD13 ' G' ' 39' ' ' ILE . 53.2 t -64.73 -44.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.06 -45.32 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.245 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.26 -48.01 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -48.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.475 ' HA2' HD22 ' B' ' 14' ' ' LEU . . . -51.64 -48.63 49.35 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.07 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.219 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.83 -52.44 65.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.14 88.67 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.426 HD13 HG22 ' W' ' 29' ' ' VAL . 38.4 mm -67.0 -41.39 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.4 97.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.59 84.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 44.7 t80 -62.73 -39.3 93.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 175.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.07 -35.36 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.206 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.15 86.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.39 75.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 171.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.36 -32.0 73.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.227 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 175.128 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.781 0.324 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.26 -32.92 52.88 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.716 1.611 . . . . 0.0 111.212 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.272 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.14 -42.16 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.86 91.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.9 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.58 97.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.45 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.03 -41.41 98.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . 0.498 HD22 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -73.99 -31.29 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.81 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.85 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.28 -48.25 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.247 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.02 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.22 79.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.67 -42.27 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 173.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.07 90.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.75 -35.2 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.55 72.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.0 -50.63 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.427 HG22 HD13 ' H' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.211 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.96 -45.33 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.25 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.3 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.8 -48.09 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.227 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.59 -39.42 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.268 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . 0.498 ' HA2' HD22 ' C' ' 14' ' ' LEU . . . -51.68 -48.62 49.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.2 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.206 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.83 -52.44 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.55 -35.76 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.14 88.19 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . 0.43 HD13 HG22 ' G' ' 29' ' ' VAL . 38.5 mm -67.04 -41.34 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.75 -41.37 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.6 84.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 44.8 t80 -62.76 -39.18 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.11 -35.33 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.21 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 23.6 t80 -55.24 -47.42 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 171.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.41 -31.96 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.251 175.049 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.29 -32.85 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.68 1.586 . . . . 0.0 111.207 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.24 87.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.26 94.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.91 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.293 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.51 97.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.51 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.84 -41.48 97.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . 0.494 HD22 ' HA2' ' I' ' 34' ' ' GLY . 93.7 mt -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.22 -44.92 94.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.248 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.49 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.71 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.36 -48.17 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -47.97 79.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.56 -35.24 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.66 -42.34 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.37 -44.09 89.82 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.8 -35.14 76.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.174 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.21 -40.06 96.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.4 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.251 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.62 67.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.433 HG22 HD13 ' I' ' 39' ' ' ILE . 53.4 t -64.79 -44.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -173.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.07 -45.37 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.21 -48.08 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.83 -48.01 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . 0.498 ' HA2' HD22 ' Y' ' 14' ' ' LEU . . . -51.69 -48.55 49.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.15 74.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.94 -52.27 65.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.16 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.72 -35.67 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.24 88.06 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . 0.431 HD13 HG22 ' Y' ' 29' ' ' VAL . 38.3 mm -67.01 -41.29 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 111.237 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.91 -41.31 97.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.54 84.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 44.7 t80 -62.79 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.29 -35.23 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.16 86.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 23.6 t80 -55.3 -47.36 75.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 171.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.48 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 175.027 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.25 -32.84 52.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.724 1.616 . . . . 0.0 111.221 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.07 -42.13 93.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.76 91.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.97 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.53 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.86 -36.61 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . 0.483 HD22 ' HA2' ' E' ' 34' ' ' GLY . 93.6 mt -73.94 -31.28 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.52 92.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.67 -46.71 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.81 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.21 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.34 -48.06 79.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.13 79.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.24 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.0 90.23 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.94 -35.02 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.162 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.07 95.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.23 -39.99 96.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.42 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.92 -50.62 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' VAL . . . . . 0.42 HG22 HD13 ' A' ' 39' ' ' ILE . 53.4 t -64.86 -44.33 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.43 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.17 -48.0 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.87 -48.07 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.62 -39.38 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' GLY . . . . . 0.486 ' HA2' HD22 ' V' ' 14' ' ' LEU . . . -51.68 -48.63 49.54 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.07 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.42 65.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -66.52 -35.79 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -43.27 87.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' ILE . . . . . 0.432 HD13 HG22 ' I' ' 29' ' ' VAL . 38.5 mm -66.89 -41.42 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.77 -41.31 97.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.22 -36.59 84.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 44.8 t80 -62.83 -39.1 93.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.33 79.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.25 86.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 23.6 t80 -55.28 -47.35 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.47 -31.87 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 175.04 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.24 -32.92 52.65 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.262 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.17 87.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.12 -42.12 94.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.85 91.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.04 93.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.6 96.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.236 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.43 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.06 -41.33 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . 0.483 HD22 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -73.93 -31.3 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.13 -45.02 94.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 172.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.69 -46.72 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.33 -48.31 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.33 -48.03 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.52 -35.24 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.7 -42.26 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.76 -35.06 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 111.252 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.31 -40.05 96.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.42 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.54 68.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' VAL . . . . . 0.424 HG22 HD13 ' B' ' 39' ' ' ILE . 53.3 t -64.82 -44.49 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.93 -45.36 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.206 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.28 -47.97 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.83 -48.07 88.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.67 -39.4 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' GLY . . . . . 0.483 ' HA2' HD22 ' F' ' 14' ' ' LEU . . . -51.65 -48.61 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.21 -46.02 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.34 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.64 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.25 88.02 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' ILE . . . . . 0.421 HD13 HG22 ' A' ' 29' ' ' VAL . 38.4 mm -67.0 -41.34 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.32 97.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.19 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 44.6 t80 -62.81 -39.14 93.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.274 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.22 -35.26 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.247 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 23.7 t80 -55.34 -47.34 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 171.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.48 -31.91 73.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 175.094 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.86 52.62 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.705 1.604 . . . . 0.0 111.225 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -47.17 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.14 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.8 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.55 97.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.251 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.59 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.83 -41.47 97.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . 0.487 HD22 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -73.96 -31.32 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.21 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.2 -44.88 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.49 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.63 -46.82 88.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.8 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.32 -48.24 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.11 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.45 -44.07 90.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -68.82 -35.14 76.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.01 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.247 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.28 -40.01 96.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.47 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.62 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' VAL . . . . . 0.43 HG22 HD13 ' C' ' 39' ' ' ILE . 53.4 t -64.84 -44.33 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 -173.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.04 -45.38 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.06 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.07 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.57 -39.45 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' X' ' 14' ' ' LEU . . . -51.66 -48.68 49.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.11 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.81 -52.42 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.24 88.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' ILE . . . . . 0.428 HD13 HG22 ' B' ' 29' ' ' VAL . 38.3 mm -66.92 -41.34 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.16 -36.55 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 44.9 t80 -62.8 -39.17 93.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.17 -35.29 79.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.14 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 23.4 t80 -55.35 -47.35 75.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 171.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.44 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 175.049 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.33 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.32 -32.81 53.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.626 1.551 . . . . 0.0 111.197 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.23 87.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.25 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.237 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.43 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.208 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . 0.499 HD22 ' HA2' ' H' ' 34' ' ' GLY . 93.9 mt -73.9 -31.31 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.258 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.26 -44.87 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 172.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.5 92.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.69 -46.8 88.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.72 95.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.233 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -54.38 -48.24 71.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.65 -35.14 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.64 -42.36 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.23 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -43.98 90.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.05 95.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.27 -39.98 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.207 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.45 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.05 -50.58 67.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' VAL . . . . . 0.418 HG22 HD13 ' D' ' 39' ' ' ILE . 53.2 t -64.78 -44.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -173.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.21 -47.98 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.1 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.48 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' GLY . . . . . 0.5 ' HA2' HD22 ' T' ' 14' ' ' LEU . . . -51.65 -48.63 49.38 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.1 75.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.218 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.28 65.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.276 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.68 -35.73 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.24 87.9 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' ILE . . . . . 0.427 HD13 HG22 ' C' ' 29' ' ' VAL . 38.5 mm -66.97 -41.34 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.173 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.89 -41.3 97.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.55 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 45.0 t80 -62.78 -39.15 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.27 -35.27 79.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.25 86.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.276 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 23.8 t80 -55.27 -47.32 75.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 171.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.87 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 175.092 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.738 0.304 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.33 -32.8 53.0 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.564 . . . . 0.0 111.209 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.22 87.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.0 -42.21 93.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.215 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.78 91.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.05 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.64 96.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.77 -36.56 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.91 -41.4 97.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.198 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.93 -31.32 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.85 94.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.59 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.6 -46.83 88.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.81 95.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.38 -48.15 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -48.06 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.64 -35.2 79.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.62 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.02 90.22 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.8 -35.16 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.13 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.16 -40.08 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.41 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.63 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' VAL . . . . . 0.432 HG22 HD13 ' E' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.96 -45.43 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.93 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.83 -48.04 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' GLY . . . . . 0.494 ' HA2' HD22 ' D' ' 14' ' ' LEU . . . -51.63 -48.63 49.25 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.17 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 111.22 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.84 -52.39 65.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.72 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.22 88.01 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' ILE . . . . . 0.433 HD13 HG22 ' D' ' 29' ' ' VAL . 38.3 mm -67.0 -41.32 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.205 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.23 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.61 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 44.9 t80 -62.77 -39.15 93.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.21 -35.31 79.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.17 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 23.4 t80 -55.3 -47.33 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 171.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.46 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 175.067 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.29 -32.84 52.87 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.663 1.576 . . . . 0.0 111.153 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.15 87.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.84 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.02 93.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.54 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.84 -36.56 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.181 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.38 97.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' LEU . . . . . 0.489 HD22 ' HA2' ' X' ' 34' ' ' GLY . 93.5 mt -74.01 -31.32 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.21 -44.91 94.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.51 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.252 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.69 -46.83 88.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.83 95.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.42 -48.16 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.47 -48.05 79.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.5 -35.19 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.8 -42.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.42 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.231 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.28 -40.0 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.92 -43.37 73.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.64 67.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' VAL . . . . . 0.426 HG22 HD13 ' O' ' 39' ' ' ILE . 53.2 t -64.86 -44.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -173.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.1 -45.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.29 -48.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.58 -39.52 82.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.61 -48.62 49.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.06 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.95 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.198 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -43.22 88.31 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.0 -41.41 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.188 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.27 97.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.213 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.27 -36.45 84.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 44.8 t80 -62.84 -39.11 93.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.3 -35.23 79.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.16 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.265 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.31 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.84 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.688 1.592 . . . . 0.0 111.208 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.14 -42.11 94.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.97 93.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.46 97.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.96 -36.51 72.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.41 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 14' ' ' LEU . . . . . 0.499 HD22 ' HA2' ' T' ' 34' ' ' GLY . 93.5 mt -74.0 -31.22 62.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.31 -44.86 95.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 172.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.61 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.56 -46.82 88.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.75 95.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.36 -48.19 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.238 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.06 79.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.57 -35.22 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -175.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.71 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.16 89.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.79 -35.09 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.201 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.02 96.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.44 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.59 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 29' ' ' VAL . . . . . 0.426 HG22 HD13 ' P' ' 39' ' ' ILE . 53.3 t -64.89 -44.37 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -173.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.41 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.01 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.88 -47.95 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.237 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.62 49.86 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.11 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.221 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.241 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.54 -35.71 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.26 88.17 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.92 -41.39 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.239 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.41 97.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.16 -36.51 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 44.9 t80 -62.78 -39.2 93.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.267 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.07 -35.37 79.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.17 86.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.32 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 171.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.44 -31.97 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 175.094 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.31 -32.81 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.727 1.618 . . . . 0.0 111.208 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.26 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.22 93.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.86 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.98 93.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -60.64 -43.54 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.62 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.44 97.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.232 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 14' ' ' LEU . . . . . 0.491 HD22 ' HA2' ' U' ' 34' ' ' GLY . 93.6 mt -73.97 -31.26 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.28 -44.85 94.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.53 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.7 -46.78 89.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.207 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.3 -48.25 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.04 79.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.63 -35.18 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.76 -42.2 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.39 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.26 -40.01 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.44 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.57 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' VAL . . . . . 0.434 HG22 HD13 ' Q' ' 39' ' ' ILE . 53.4 t -64.93 -44.29 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -173.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.02 -45.34 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.233 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.94 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.267 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.91 -47.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.267 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.69 -39.39 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.11 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.234 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.85 -52.36 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.34 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.03 -41.26 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.232 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.15 -36.53 84.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 44.9 t80 -62.85 -39.18 93.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.189 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.35 79.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.23 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 23.8 t80 -55.35 -47.25 76.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.54 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.038 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.78 0.324 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -32.82 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.657 1.572 . . . . 0.0 111.227 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.21 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.241 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.86 91.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.96 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.85 -36.52 72.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.232 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.41 97.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 14' ' ' LEU . . . . . 0.488 HD22 ' HA2' ' V' ' 34' ' ' GLY . 93.7 mt -74.0 -31.29 62.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.9 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.53 92.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.69 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.34 -48.17 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.264 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.01 79.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.12 79.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.76 -42.24 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 173.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -43.99 90.4 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.86 -35.13 76.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.29 -39.96 96.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.45 73.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.64 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 29' ' ' VAL . . . . . 0.419 HG22 HD13 ' R' ' 39' ' ' ILE . 53.5 t -64.91 -44.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -173.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.04 -45.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.192 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.3 -47.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.96 -48.05 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.63 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.75 -48.51 50.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.09 75.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.225 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 99.7 m -56.9 -52.32 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.66 -35.74 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.26 87.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.92 -41.36 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.276 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.23 -36.5 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.2 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.27 79.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.13 86.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 23.5 t80 -55.34 -47.35 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.47 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 175.064 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.746 0.308 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.25 -32.95 52.96 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.732 1.621 . . . . 0.0 111.148 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.13 -42.07 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.79 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.94 92.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.57 97.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.85 -36.59 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.89 -41.42 97.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 14' ' ' LEU . . . . . 0.481 HD22 ' HA2' ' W' ' 34' ' ' GLY . 93.6 mt -73.95 -31.39 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.98 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.61 92.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.83 88.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.82 95.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.36 -48.25 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.37 -48.04 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.23 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -43.96 90.52 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.19 -40.03 96.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.96 -50.67 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 29' ' ' VAL . . . . . 0.428 HG22 HD13 ' S' ' 39' ' ' ILE . 53.3 t -64.79 -44.38 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -173.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.28 -48.0 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.86 -48.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.53 -39.57 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.17 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.81 -52.34 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.7 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.96 -41.39 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.323 . . . . 0.0 111.155 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.21 -36.52 84.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.273 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 44.7 t80 -62.74 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.221 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.2 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.45 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 23.7 t80 -55.33 -47.37 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 171.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.46 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 175.036 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.22 -32.96 52.69 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.713 1.609 . . . . 0.0 111.138 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.12 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.2 -42.11 94.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.77 91.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.251 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.06 93.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.5 97.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.255 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.98 -36.48 72.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.188 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.0 -41.32 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 14' ' ' LEU . . . . . 0.498 HD22 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -74.09 -31.22 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.26 -44.89 94.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.71 -46.73 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -44.79 95.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.46 -48.15 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.61 -35.23 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.69 -42.21 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.37 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.07 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.19 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.99 95.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.245 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.29 -39.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.66 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 29' ' ' VAL . . . . . 0.422 HG22 HD13 ' T' ' 39' ' ' ILE . 53.1 t -64.76 -44.45 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.02 -45.31 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.25 -47.99 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -48.02 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.64 -48.59 49.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.11 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.89 -52.3 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.67 -35.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.14 -43.17 88.76 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 39' ' ' ILE . . . . . 0.426 HD13 HG22 ' J' ' 29' ' ' VAL . 38.3 mm -66.99 -41.35 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.193 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.29 97.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.2 -36.5 84.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.24 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.05 -35.43 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 23.6 t80 -55.34 -47.31 75.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 171.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.42 -31.96 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 175.07 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.21 -32.96 52.55 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.683 1.589 . . . . 0.0 111.241 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.21 87.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.08 -42.2 94.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.84 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.93 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.53 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.84 -36.55 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.03 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' LEU . . . . . 0.496 HD22 ' HA2' ' Y' ' 34' ' ' GLY . 93.5 mt -73.98 -31.34 62.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.24 -44.87 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.39 -48.17 71.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.06 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.22 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.24 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.14 89.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.79 -35.1 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.09 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.207 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.28 -40.01 96.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.03 -50.56 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' VAL . . . . . 0.433 HG22 HD13 ' U' ' 39' ' ' ILE . 53.2 t -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.245 -173.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.04 -45.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.21 -48.08 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.85 -48.0 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.67 -39.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.65 49.41 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.23 88.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' ILE . . . . . 0.426 HD13 HG22 ' K' ' 29' ' ' VAL . 38.5 mm -66.93 -41.39 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.31 97.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.39 -36.39 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 44.7 t80 -62.83 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -35.37 79.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.19 86.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.41 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 171.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.39 -31.92 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 175.057 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.843 0.354 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.29 -32.88 53.05 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.677 1.585 . . . . 0.0 111.154 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.0 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.6 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.8 -36.55 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.215 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 14' ' ' LEU . . . . . 0.481 HD22 ' HA2' ' Z' ' 34' ' ' GLY . 93.7 mt -73.97 -31.26 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.87 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.46 91.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.62 -46.85 88.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.83 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.44 -48.13 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.52 -47.94 79.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.6 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -175.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.05 90.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.06 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.143 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.97 95.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.238 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.07 96.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.43 73.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.187 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.96 -50.61 67.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 29' ' ' VAL . . . . . 0.428 HG22 HD13 ' V' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.31 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -48.01 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.83 -48.06 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.52 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.53 50.02 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.12 74.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.753 0.311 . . . . 0.0 111.156 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.34 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.81 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.2 88.04 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 39' ' ' ILE . . . . . 0.434 HD13 HG22 ' L' ' 29' ' ' VAL . 38.3 mm -67.0 -41.33 87.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.25 -36.48 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 45.0 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.16 -35.35 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.11 86.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 24.0 t80 -55.33 -47.33 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 171.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.47 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.253 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.281 174.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.19 -32.86 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.661 1.574 . . . . 0.0 111.309 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.24 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.84 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.96 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.55 96.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.48 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -61.98 -41.36 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 14' ' ' LEU . . . . . 0.488 HD22 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -74.01 -31.33 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.17 -45.0 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.77 95.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.204 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.16 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.64 -42.26 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.96 90.73 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.88 -35.16 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.15 94.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -63.32 -39.96 96.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.38 73.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.55 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 29' ' ' VAL . . . . . 0.425 HG22 HD13 ' W' ' 39' ' ' ILE . 53.4 t -64.8 -44.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -45.37 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.08 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.6 -39.56 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.58 -48.55 49.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.88 -52.34 65.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.66 -35.76 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.91 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 39' ' ' ILE . . . . . 0.419 HD13 HG22 ' M' ' 29' ' ' VAL . 38.4 mm -66.87 -41.39 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.9 -41.23 97.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.53 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.37 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 24.1 t80 -55.19 -47.46 75.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 171.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.43 -31.9 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 175.07 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.11 -32.88 51.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.629 1.552 . . . . 0.0 111.292 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.22 87.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.02 -42.13 93.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.263 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.84 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.89 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.64 -43.48 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.221 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.9 -36.51 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.49 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 14' ' ' LEU . . . . . 0.473 HD22 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.97 -31.32 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.9 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.65 92.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.64 -46.82 88.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.69 95.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.49 -48.03 79.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.19 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.78 -42.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.98 90.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.88 -35.09 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.04 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.2 -40.04 96.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.4 73.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 29' ' ' VAL . . . . . 0.429 HG22 HD13 ' X' ' 39' ' ' ILE . 53.4 t -64.81 -44.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.05 -45.28 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.33 -47.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.91 -48.03 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.47 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.19 -46.11 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.82 -52.38 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.62 -35.67 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.13 88.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' ILE . . . . . 0.428 HD13 HG22 ' N' ' 29' ' ' VAL . 38.5 mm -66.96 -41.34 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.808 0.337 . . . . 0.0 111.267 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.28 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 44.8 t80 -62.72 -39.21 93.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.228 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.35 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.209 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.38 -37.09 86.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 23.8 t80 -55.42 -47.29 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.5 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 175.011 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.3 -32.84 52.93 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.71 1.606 . . . . 0.0 111.169 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.25 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.9 91.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.95 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.219 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.5 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.59 72.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.87 -41.48 97.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 14' ' ' LEU . . . . . 0.5 HD22 ' HA2' ' H' ' 34' ' ' GLY . 93.6 mt -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.51 91.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.59 -46.85 88.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.82 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.33 -48.19 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.47 -48.08 79.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.18 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.19 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -44.04 90.52 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -68.78 -35.13 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 111.265 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.01 95.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -40.03 96.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.75 -43.43 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.63 67.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 29' ' ' VAL . . . . . 0.423 HG22 HD13 ' Y' ' 39' ' ' ILE . 53.4 t -64.78 -44.44 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.0 -45.34 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.22 -48.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.76 -48.08 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.282 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.51 -39.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.499 ' HA2' HD22 ' K' ' 14' ' ' LEU . . . -51.64 -48.61 49.35 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.0 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.277 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.93 -52.32 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.21 88.03 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 39' ' ' ILE . . . . . 0.422 HD13 HG22 ' O' ' 29' ' ' VAL . 38.2 mm -67.03 -41.32 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.34 97.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.22 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 45.0 t80 -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.4 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 23.4 t80 -55.26 -47.44 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 171.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.43 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 175.09 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.25 -32.93 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.719 1.613 . . . . 0.0 111.126 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.19 87.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.2 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.81 91.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.04 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.41 97.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.58 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.85 -41.49 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 14' ' ' LEU . . . . . 0.492 HD22 ' HA2' ' D' ' 34' ' ' GLY . 93.6 mt -73.97 -31.23 62.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.88 95.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 172.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.41 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.266 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.7 -46.83 88.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.43 -48.16 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.07 79.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.63 -35.22 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.209 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.09 90.04 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.83 -35.13 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.179 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.97 95.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.22 -40.06 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.63 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 29' ' ' VAL . . . . . 0.434 HG22 HD13 ' Z' ' 39' ' ' ILE . 53.3 t -64.78 -44.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -173.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.95 -45.38 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.216 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.24 -48.0 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -47.98 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.72 -39.36 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 34' ' ' GLY . . . . . 0.491 ' HA2' HD22 ' L' ' 14' ' ' LEU . . . -51.69 -48.62 49.68 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.08 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.211 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.4 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.06 88.61 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 39' ' ' ILE . . . . . 0.433 HD13 HG22 ' P' ' 29' ' ' VAL . 38.2 mm -67.06 -41.32 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.17 -36.53 84.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 44.9 t80 -62.94 -39.03 93.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.241 175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.16 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 23.8 t80 -55.3 -47.33 75.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -65.51 -31.85 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 175.095 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.22 -32.86 52.24 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.652 1.568 . . . . 0.0 111.246 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.11 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.16 -42.06 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.9 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.97 93.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.57 97.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.4 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 14' ' ' LEU . . . . . 0.486 HD22 ' HA2' ' E' ' 34' ' ' GLY . 93.7 mt -74.0 -31.3 62.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.86 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.261 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.87 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.34 -48.2 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.05 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.15 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.69 -42.22 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.244 173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.06 90.33 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.77 -35.16 76.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.05 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -39.91 95.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.36 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.72 67.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 29' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.02 -45.32 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.79 -48.08 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 34' ' ' GLY . . . . . 0.488 ' HA2' HD22 ' M' ' 14' ' ' LEU . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.33 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.58 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.15 -43.13 88.81 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 39' ' ' ILE . . . . . 0.428 HD13 HG22 ' Q' ' 29' ' ' VAL . 38.3 mm -67.01 -41.35 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.188 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 45.1 t80 -62.85 -39.15 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 175.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.44 79.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.25 -37.2 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 175.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 23.4 t80 -55.39 -47.3 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.45 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.24 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.028 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.16 -32.85 51.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.632 1.555 . . . . 0.0 111.283 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.13 -42.08 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.87 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.03 93.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.55 -43.54 97.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.51 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.87 -41.45 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 14' ' ' LEU . . . . . 0.482 HD22 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -74.03 -31.25 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.88 95.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.68 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.68 95.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.54 -48.14 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.06 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.71 -42.29 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.46 -44.04 90.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.82 -35.1 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.0 95.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.218 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -40.01 96.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.54 73.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.58 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 29' ' ' VAL . . . . . 0.426 HG22 HD13 ' B' ' 39' ' ' ILE . 53.5 t -64.89 -44.35 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -173.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.31 -47.99 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.88 -48.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.57 -39.51 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 34' ' ' GLY . . . . . 0.481 ' HA2' HD22 ' N' ' 14' ' ' LEU . . . -51.72 -48.56 49.98 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.1 75.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.217 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.92 -52.34 65.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.67 -35.66 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.19 88.25 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 39' ' ' ILE . . . . . 0.425 HD13 HG22 ' R' ' 29' ' ' VAL . 38.3 mm -66.96 -41.42 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 111.211 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.21 97.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.252 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.56 84.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 44.7 t80 -62.75 -39.24 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.32 79.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.266 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.09 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.37 75.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 62.8 p -65.4 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 175.083 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.28 -32.88 52.91 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.698 1.599 . . . . 0.0 111.152 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.3 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.77 91.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.02 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.53 -43.58 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.9 -36.47 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.02 -41.34 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.489 HD22 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -74.06 -31.22 62.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.28 -44.85 94.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.51 91.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.85 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.31 -48.24 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.26 79.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.1 90.18 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.74 -35.16 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.179 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.01 96.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.246 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.75 67.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . 0.429 HG22 HD13 ' C' ' 39' ' ' ILE . 53.3 t -64.74 -44.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.0 -45.3 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.267 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -48.12 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.7 -39.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 34' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' J' ' 14' ' ' LEU . . . -51.75 -48.58 50.15 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.19 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 99.9 m -56.97 -52.3 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.66 -35.68 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.12 88.63 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 39' ' ' ILE . . . . . 0.429 HD13 HG22 ' S' ' 29' ' ' VAL . 38.4 mm -66.98 -41.36 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 111.197 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.4 97.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -36.5 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 45.0 t80 -62.8 -39.14 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.218 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.32 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.16 86.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 23.8 t80 -55.34 -47.35 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.38 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 175.091 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.32 -32.89 53.35 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.7 1.6 . . . . 0.0 111.16 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.21 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.19 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.53 97.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.56 72.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.89 -41.41 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 14' ' ' LEU . . . . . 0.498 HD22 ' HA2' ' D' ' 34' ' ' GLY . 93.5 mt -74.08 -31.17 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.99 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.58 92.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.85 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.74 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.43 -48.14 72.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.13 79.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.67 -42.29 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.05 90.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.73 -35.19 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 111.235 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.03 95.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.06 96.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.39 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.58 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 29' ' ' VAL . . . . . 0.431 HG22 HD13 ' D' ' 39' ' ' ILE . 53.3 t -64.82 -44.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -173.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.99 -45.26 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.35 -47.95 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -48.04 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.67 -39.46 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 34' ' ' GLY . . . . . 0.496 ' HA2' HD22 ' P' ' 14' ' ' LEU . . . -51.63 -48.64 49.23 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.87 -52.35 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.6 -35.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -43.28 87.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 39' ' ' ILE . . . . . 0.423 HD13 HG22 ' T' ' 29' ' ' VAL . 38.7 mm -66.92 -41.41 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.176 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.26 97.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.25 -36.47 84.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 42' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 44.9 t80 -62.89 -39.12 93.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.29 79.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.22 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 45' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 23.7 t80 -55.23 -47.35 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.264 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.38 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.216 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 175.158 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.778 0.323 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.87 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.664 1.576 . . . . 0.0 111.18 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.08 -42.14 93.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.75 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.6 97.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -41.44 97.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 14' ' ' LEU . . . . . 0.481 HD22 ' HA2' ' I' ' 34' ' ' GLY . 93.6 mt -73.95 -31.19 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.97 94.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.55 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.59 -46.86 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.72 95.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.48 -48.13 72.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.24 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.71 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.35 -44.14 89.76 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.81 -35.07 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.03 95.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.33 -40.01 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.42 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.6 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 29' ' ' VAL . . . . . 0.429 HG22 HD13 ' E' ' 39' ' ' ILE . 53.4 t -64.84 -44.37 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 -173.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.91 -45.45 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.21 -47.96 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.261 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -48.06 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 34' ' ' GLY . . . . . 0.481 ' HA2' HD22 ' Q' ' 14' ' ' LEU . . . -51.69 -48.57 49.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.24 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.91 -52.32 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.22 88.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 39' ' ' ILE . . . . . 0.434 HD13 HG22 ' U' ' 29' ' ' VAL . 38.4 mm -66.96 -41.37 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 42' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.32 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.18 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 45' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 23.9 t80 -55.27 -47.4 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 171.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -65.4 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.247 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 175.048 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.789 0.328 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.3 -32.87 53.05 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.674 1.583 . . . . 0.0 111.186 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.31 87.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.218 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.17 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.87 91.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.94 93.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.54 97.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.93 -36.53 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.85 -41.45 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.04 -31.28 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.52 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.25 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.41 -48.18 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.17 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.72 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.03 90.34 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.79 -35.11 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.224 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.01 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -39.93 95.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.44 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.77 -44.38 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.0 -45.39 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -47.97 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.85 -48.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.62 -39.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -48.56 50.42 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.88 -52.29 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -43.2 88.5 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 38.2 mm -66.96 -41.33 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.698 0.285 . . . . 0.0 111.155 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.28 97.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.84 -39.25 93.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.34 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.3 -37.19 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.32 -47.31 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.41 -31.99 73.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 175.112 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.31 -32.81 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.68 1.587 . . . . 0.0 111.197 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.14 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.06 -42.15 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.81 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.47 -43.55 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.284 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.91 -36.49 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.95 -41.42 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.95 -31.36 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.21 -44.91 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.83 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.73 95.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.4 -48.17 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -48.1 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.17 79.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.78 -42.18 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.57 -43.95 90.88 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.26 -39.99 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.44 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.66 67.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.82 -44.37 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.94 -45.4 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.21 -48.04 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 -177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.57 -39.49 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.73 -48.56 50.03 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.14 75.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.38 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.15 88.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.96 -41.37 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.202 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.92 -41.25 97.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.22 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.67 -39.28 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.223 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.29 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.211 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.16 86.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -47.26 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 171.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.52 -32.0 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.114 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 175.1 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.97 53.05 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.18 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.02 -42.23 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.22 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.92 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.64 97.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.81 -36.54 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.233 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.88 -41.4 97.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.241 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.38 62.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.94 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.48 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.6 -46.9 88.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.87 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.3 -48.23 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.1 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.66 -35.12 79.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.66 -42.25 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.03 90.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -34.98 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.0 95.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.51 72.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.59 67.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.84 -44.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.03 -45.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.18 -48.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.94 -47.95 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.64 -39.48 82.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.69 -48.56 49.83 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.09 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 111.151 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.96 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.37 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.11 -41.23 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 111.171 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.33 97.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.253 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.17 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.75 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.245 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.36 79.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.32 -47.34 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.54 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 175.065 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.85 52.43 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.744 1.629 . . . . 0.0 111.24 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.25 87.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.15 94.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.51 -43.57 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.82 -36.56 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.45 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.98 -31.32 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.9 94.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.176 172.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.59 92.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.58 -46.83 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.81 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.36 -48.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.272 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.96 79.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.27 79.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -175.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.63 -42.19 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.254 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.02 90.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.23 -40.08 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.55 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.6 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.8 -44.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.09 -45.29 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.81 -48.04 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.63 -48.61 49.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.13 75.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.329 . . . . 0.0 111.152 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 99.1 m -56.91 -52.35 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.206 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.18 88.4 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.08 -41.35 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.13 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.32 97.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.209 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.25 -36.49 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.13 -35.29 79.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.42 -37.12 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.26 -47.38 75.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.48 -31.85 73.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.172 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 175.079 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.89 52.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.712 1.608 . . . . 0.0 111.145 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.86 91.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.95 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.54 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.47 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.29 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.19 -44.92 94.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.24 172.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.5 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.67 -46.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.85 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.35 -48.24 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.42 -48.02 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.23 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.6 -42.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.42 -44.06 90.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.84 -35.14 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.165 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.03 95.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.0 96.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.08 -50.55 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -44.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.34 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.235 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.28 -47.99 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.88 -48.0 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.265 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.58 -39.48 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -48.6 50.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.06 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.285 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.57 -35.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.21 88.32 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.99 -41.28 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.26 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.53 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.82 -39.17 93.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.35 79.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.42 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.188 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 175.128 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.752 0.31 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.26 -32.92 52.92 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 121.683 1.589 . . . . 0.0 111.173 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.1 93.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.296 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.88 91.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.46 -43.62 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.253 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.4 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.0 -31.32 62.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.17 -44.95 94.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.6 -46.85 88.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.73 95.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.99 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.77 -42.2 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.92 90.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -35.1 76.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.107 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.09 95.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.178 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.15 -40.05 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.255 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.48 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.04 -50.59 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.89 -44.28 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -173.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.42 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.97 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.9 -47.95 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.5 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.19 75.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.169 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.87 -52.39 65.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.6 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.14 88.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.4 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.13 -36.53 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.84 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.39 79.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.15 86.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.37 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.46 -31.92 73.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 175.042 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.23 -32.93 52.67 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.745 1.63 . . . . 0.0 111.201 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.15 87.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.09 -42.13 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.75 91.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.06 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.58 96.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.88 -36.48 72.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.95 -41.39 97.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.24 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.91 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.82 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 94.1 m -54.32 -48.23 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.262 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -47.99 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.264 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.71 -35.12 79.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.8 -42.17 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.11 89.93 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.07 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.01 95.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.23 -40.08 96.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.45 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.61 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.79 -44.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.9 -45.45 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.22 -48.03 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -47.98 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.24 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.57 -39.47 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.91 -52.37 65.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.68 -35.69 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.2 88.2 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.01 -41.42 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 111.143 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.21 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.36 -36.47 84.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.81 -39.21 93.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.34 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.24 86.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.26 -47.45 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.2 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.047 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.25 -32.9 52.73 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.694 1.596 . . . . 0.0 111.189 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.22 87.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.19 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.17 -42.08 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.82 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.6 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.88 -41.45 97.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.94 -31.25 62.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.9 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.19 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.82 88.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.85 95.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.226 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.37 -48.14 71.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.268 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.05 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.3 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.64 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.01 90.33 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.81 -35.17 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.14 94.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -39.99 96.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.1 -50.52 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.86 -44.34 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.32 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.32 -48.01 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.88 -48.03 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.55 -39.49 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.7 -48.55 49.92 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.15 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.91 -52.32 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.72 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.18 88.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.12 -41.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.704 0.288 . . . . 0.0 111.075 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.163 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.16 -36.59 84.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.84 -39.1 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 175.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 62.2 p -65.49 -31.82 73.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.204 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 175.067 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.26 -32.82 52.43 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.66 1.574 . . . . 0.0 111.271 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -47.13 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.2 -42.08 94.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.82 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.52 97.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.94 -36.51 72.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.24 -44.92 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 172.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.57 92.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.89 88.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.77 95.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.38 -48.24 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.46 -48.08 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.54 -35.21 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.7 -42.23 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.234 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.36 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.89 -35.05 76.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.08 94.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.247 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.04 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.53 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.194 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.6 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.82 -44.4 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.224 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.99 -45.39 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.0 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.83 -48.16 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.53 -39.45 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.6 49.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.1 75.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.234 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.24 88.05 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.36 87.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.33 97.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.48 84.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.92 -39.09 93.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.35 -47.36 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.46 -31.89 73.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 175.062 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.51 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.69 62.27 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.04 -0.4 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 111.245 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.4 116.19 64.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.21 -31.51 55.87 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.691 1.594 . . . . 0.0 111.151 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.76 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.41 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.263 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.08 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.27 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.41 -38.1 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.33 -41.17 98.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.55 -33.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.41 97.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.38 90.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.48 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -55.59 -45.17 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.52 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.43 -43.77 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 168.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.13 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.84 -45.03 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.72 -49.47 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.84 -28.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 ' HB3' ' R' ' 10' ' ' ALA . 22.4 t -64.74 -43.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.33 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.2 -51.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -65.0 -42.35 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.01 8.6 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.01 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.223 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.98 -54.11 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -48.08 75.03 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.57 -41.19 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.59 76.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -36.07 83.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 53.1 t80 -64.99 -36.98 86.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 3.6 t80 -56.48 -50.01 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 172.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -64.91 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.05 59.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 172.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.11 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.38 0.53 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.196 179.325 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.739 0.304 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.51 120.45 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.74 -9.64 62.19 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.05 -0.48 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -86.34 116.33 65.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.29 -31.46 56.59 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.752 1.635 . . . . 0.0 111.188 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.66 81.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.44 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' B' ' 30' ' ' VAL . . . -64.3 -45.36 88.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.99 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.11 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -62.35 -41.2 98.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.51 -33.23 70.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.41 90.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.77 -48.42 81.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.24 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.71 -48.05 82.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.54 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.32 -43.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.6 82.96 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.56 -43.01 95.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.228 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.16 89.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TRP . . . . . 0.4 ' O ' HG21 ' B' ' 30' ' ' VAL . 23.7 m95 -67.91 -45.01 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.82 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.266 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.48 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.241 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' B' ' 10' ' ' ALA . 22.4 t -64.72 -43.43 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.52 -43.9 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -51.74 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.236 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.04 -42.37 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.06 8.44 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.95 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.294 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.0 -54.14 49.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.47 -32.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.14 75.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.4 -41.25 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.251 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.01 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 53.2 t80 -64.94 -37.01 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.91 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.285 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.208 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 3.7 t80 -56.48 -50.04 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 73.7 p -64.8 -29.73 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.33 -49.01 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.06 -28.19 69.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.42 0.64 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.265 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.5 120.42 11.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.62 62.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.13 -0.45 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.166 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.13 64.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.21 -31.51 55.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.69 1.593 . . . . 0.0 111.207 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.67 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.37 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.93 96.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.214 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.39 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.09 -50.84 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.32 -38.17 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.33 -41.14 98.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.22 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.155 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.51 97.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.08 -44.03 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.57 -45.17 77.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.224 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.37 -43.87 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 168.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.6 -41.57 82.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.61 -43.0 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.76 -45.15 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.63 -49.46 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.75 -43.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.3 -51.73 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.98 -42.38 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.99 8.7 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.05 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.07 -54.06 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.69 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -47.99 76.96 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.6 76.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.36 -35.89 82.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 53.3 t80 -65.0 -37.01 86.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.19 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.79 -35.86 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 3.6 t80 -56.63 -49.95 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.2 p -64.87 -29.64 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.27 -49.1 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.99 -28.19 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.43 0.68 51.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.6 120.45 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 -9.67 62.23 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.1 -0.45 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.355 . . . . 0.0 111.177 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.28 116.17 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.22 -31.53 56.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.713 1.609 . . . . 0.0 111.131 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.68 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.204 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.4 79.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.08 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . 0.409 ' HB3' HG13 ' I' ' 30' ' ' VAL . . . -64.28 -45.32 88.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.14 -50.75 72.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.29 -41.17 98.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.52 -33.29 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.48 97.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.39 90.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.98 -44.12 97.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.46 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.55 -48.15 81.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.55 60.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.31 -43.9 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 168.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.49 82.53 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.62 -43.07 94.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 111.158 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.22 89.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.82 -45.04 75.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -43.9 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.59 -49.59 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.82 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' U' ' 10' ' ' ALA . 22.9 t -64.64 -43.48 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.278 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.37 -44.01 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -51.73 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.07 -42.31 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.43 -57.03 8.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -60.01 -54.06 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.238 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.66 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.1 75.46 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.52 -41.09 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.267 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.68 -43.58 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.26 -36.01 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.211 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 53.5 t80 -64.92 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.9 82.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.97 76.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 3.7 t80 -56.51 -50.06 72.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.207 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -64.83 -29.81 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.129 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.25 -49.05 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.11 -28.17 69.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.163 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.4 0.63 51.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.601 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 179.312 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.332 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.57 120.55 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.61 -9.63 62.46 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.02 -0.55 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.199 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.18 116.18 64.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -31.59 55.19 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.824 1.683 . . . . 0.0 111.256 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.74 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.229 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.35 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' E' ' 30' ' ' VAL . . . -64.26 -45.29 88.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.17 -50.8 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.22 86.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.185 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.28 -41.17 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.58 -33.2 70.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.09 -41.5 97.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.41 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.02 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.45 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.56 -45.18 77.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.57 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.3 -43.89 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 168.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.5 82.57 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.07 94.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' TRP . . . . . 0.4 ' O ' HG21 ' E' ' 30' ' ' VAL . 23.7 m95 -67.95 -45.02 75.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 178.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.02 76.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.6 62.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.89 -28.75 34.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.273 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' E' ' 10' ' ' ALA . 22.8 t -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 172.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -51.78 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.06 -42.34 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.1 8.45 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.05 -54.0 51.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.54 -32.67 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.56 -41.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.57 -43.66 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.28 -36.01 82.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 53.1 t80 -64.94 -36.99 86.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 173.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.74 -35.97 82.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.93 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.0 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 172.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.84 -29.74 70.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.37 -48.95 59.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.16 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.68 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.583 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.49 120.48 11.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.62 -9.62 62.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.51 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.156 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.24 65.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.283 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.24 -31.46 55.93 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.733 1.622 . . . . 0.0 111.191 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.39 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.08 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' ALA . . . . . 0.407 ' HB3' HG13 ' F' ' 30' ' ' VAL . . . -64.22 -45.3 88.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.1 -50.83 72.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.44 -38.18 86.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.22 -41.19 98.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.55 -33.31 70.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.96 -41.58 97.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.37 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.59 -45.11 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.228 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.2 81.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.64 -25.6 60.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 -173.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.33 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.53 83.12 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.277 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.12 89.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.08 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.89 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.49 62.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.93 -28.78 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB3' ' W' ' 10' ' ' ALA . 22.8 t -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -51.81 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.1 -42.26 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.0 8.58 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.11 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 111.143 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.03 -54.03 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.74 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.08 75.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.12 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.67 76.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.29 -35.9 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 52.9 t80 -65.03 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.272 173.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.82 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.99 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.94 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 172.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 74.3 p -64.95 -29.65 70.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.36 -48.96 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.18 -28.07 69.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.62 51.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.595 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.243 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.53 120.43 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.66 62.25 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.96 -0.61 47.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 111.257 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.22 116.18 64.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.13 -31.62 55.62 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.7 1.6 . . . . 0.0 111.209 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.71 81.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.41 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' ALA . . . . . 0.407 ' HB3' HG13 ' G' ' 30' ' ' VAL . . . -64.27 -45.26 88.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.16 -50.82 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.233 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.35 -41.17 98.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.51 -33.27 71.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.58 97.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.47 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.95 -44.18 97.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.36 -45.35 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.5 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -173.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.44 -43.81 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.48 82.66 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.08 95.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 111.252 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.7 -45.14 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.98 77.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.56 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.83 -28.81 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' VAL . . . . . 0.407 HG13 ' HB3' ' G' ' 10' ' ' ALA . 22.5 t -64.74 -43.44 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.3 -51.72 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.11 -42.29 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.12 8.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.13 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 111.218 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -59.97 -54.05 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.26 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.64 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -47.96 77.27 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.61 -41.1 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.336 . . . . 0.0 111.192 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.71 -43.58 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 53.0 t80 -65.05 -36.88 85.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 173.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.88 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -33.99 76.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 3.6 t80 -56.59 -50.05 73.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.68 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.26 -49.08 59.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.17 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.17 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.7 51.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.199 -1.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.323 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.54 120.4 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 -9.67 62.24 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.06 -0.51 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.26 116.17 64.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.53 55.67 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.719 1.613 . . . . 0.0 111.214 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.225 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.45 79.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.04 96.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.36 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.08 -50.79 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.27 86.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.51 -33.29 71.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.1 -41.51 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.4 90.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.216 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.53 81.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.45 -45.25 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.05 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.51 60.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.73 -41.53 83.02 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 171.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -42.99 95.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 111.176 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.19 89.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.8 -45.06 75.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.88 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.264 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.72 -49.55 62.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.9 -28.7 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' T' ' 10' ' ' ALA . 22.4 t -64.79 -43.47 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.39 -43.91 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -51.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.93 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.01 8.59 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.11 73.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.241 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -60.03 -54.08 50.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.05 76.02 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.54 -41.18 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.242 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.52 76.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.37 -35.96 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 52.9 t80 -64.99 -36.92 85.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.23 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.92 82.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.98 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 3.7 t80 -56.54 -50.01 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.23 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.23 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.23 -49.09 59.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.02 -28.19 69.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.65 51.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.317 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.44 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.63 62.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.55 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.193 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.24 116.2 64.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.13 -31.61 55.53 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.681 1.587 . . . . 0.0 111.188 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.39 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.1 96.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.44 88.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.83 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.4 -38.18 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.25 98.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.49 97.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.96 -44.11 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.54 -45.2 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.11 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.32 -43.79 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.263 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.52 83.09 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.03 94.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.08 89.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.237 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.89 -45.04 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.196 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.0 76.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.232 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.68 -49.53 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.69 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' D' ' 10' ' ' ALA . 22.5 t -64.8 -43.46 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 172.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.4 -43.92 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -51.93 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.92 -42.29 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.13 8.49 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.1 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 111.236 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -60.0 -54.03 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.72 30.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.98 76.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.12 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.56 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.23 -35.99 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 53.6 t80 -65.06 -36.92 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.168 173.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.99 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 3.6 t80 -56.6 -49.91 73.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 172.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.87 -29.77 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.24 -49.04 59.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 172.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.66 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 179.281 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.53 11.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.63 -9.65 62.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.09 -0.49 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.2 116.2 64.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.258 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.25 -31.5 56.25 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.738 1.626 . . . . 0.0 111.21 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.64 81.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.36 -42.32 79.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.04 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.218 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' X' ' 30' ' ' VAL . . . -64.24 -45.33 88.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.11 85.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.63 -33.18 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.25 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.48 90.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.95 -44.19 97.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.45 81.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.28 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.55 -45.21 77.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.63 -48.1 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.78 -25.45 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.44 -43.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 168.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.53 82.99 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.09 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.234 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.58 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.88 -28.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 23.0 t -64.59 -43.52 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.33 -44.02 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -51.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.31 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.02 8.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.01 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.211 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -59.99 -54.15 49.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -175.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.59 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.17 75.12 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.43 -41.27 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.5 -43.7 75.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.98 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 53.2 t80 -65.02 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 173.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.12 77.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 3.6 t80 -56.44 -50.02 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 172.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 76.0 p -64.97 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.3 -49.05 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.05 -28.12 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.246 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.57 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.33 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.41 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.66 62.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.98 -0.47 47.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.17 64.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.27 -31.42 56.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.68 1.587 . . . . 0.0 111.177 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.3 -42.36 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.02 96.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' T' ' 30' ' ' VAL . . . -64.28 -45.3 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.86 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.1 85.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.32 -41.28 98.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.43 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.52 97.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.42 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.95 -44.15 97.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.55 -45.15 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.66 -48.07 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.71 -25.54 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.37 -43.82 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.57 82.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.51 -43.14 95.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.196 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.25 89.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.218 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.77 -45.12 75.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.92 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -28.87 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.7 -43.41 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.278 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.42 -44.0 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.24 -51.73 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.54 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.04 -54.07 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.45 -32.66 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -48.04 76.52 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.15 90.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.51 -43.74 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -35.92 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 53.0 t80 -65.15 -36.87 85.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.96 82.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.94 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 3.6 t80 -56.57 -50.03 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 172.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.87 -29.62 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -69.39 -49.03 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.13 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.64 51.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--O 1.199 -1.594 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 179.23 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.764 0.316 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.61 120.48 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.67 62.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.0 -0.55 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.31 116.21 64.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.17 -31.6 55.86 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.199 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.75 81.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.37 79.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.96 96.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 10' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' U' ' 30' ' ' VAL . . . -64.28 -45.29 88.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.78 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.38 -41.17 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.5 -33.23 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.41 90.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.212 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.43 -45.23 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.08 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.55 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.38 -43.79 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.56 82.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 171.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.08 94.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.26 89.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.69 -45.19 75.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.88 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.51 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.72 -43.43 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.97 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.2 -51.81 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.04 -42.32 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.05 8.55 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.09 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.239 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.94 -54.15 49.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.48 -32.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -47.98 76.6 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.08 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.174 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.6 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.24 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 53.5 t80 -65.0 -36.92 85.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.92 82.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.08 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.96 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 172.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -64.98 -29.68 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.28 -49.01 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.18 -28.13 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.39 0.64 51.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.241 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 179.287 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.72 0.295 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.45 120.46 11.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.64 -9.64 62.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.97 -0.56 47.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 111.203 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.22 65.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.12 -31.62 55.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.75 1.633 . . . . 0.0 111.159 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.65 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.32 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.205 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.37 88.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.11 -50.77 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.36 -38.12 85.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.34 -41.17 98.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.57 -33.16 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.19 -41.45 97.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.237 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.39 90.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.98 -44.15 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.41 -45.29 76.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.55 60.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.38 -43.88 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 168.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.52 82.65 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.15 94.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.75 -45.08 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.96 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.5 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.71 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.96 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.25 -51.7 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.14 -42.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.06 8.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.09 -54.04 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -175.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mm -74.53 -32.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.3 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.55 -41.08 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.747 0.308 . . . . 0.0 111.22 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.58 76.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.0 82.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 53.4 t80 -64.91 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 173.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.82 -35.98 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.98 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 75.9 p -64.99 -29.63 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.29 -49.0 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.09 -28.12 69.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.74 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.118 179.354 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.47 120.44 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.68 62.21 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.04 -0.56 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.217 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.29 116.2 64.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.24 -31.47 56.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.64 1.56 . . . . 0.0 111.184 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.76 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.38 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.97 96.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 10' ' ' ALA . . . . . 0.411 ' HB3' HG13 ' W' ' 30' ' ' VAL . . . -64.28 -45.38 88.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.98 -50.86 71.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.19 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.21 -41.23 98.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.55 -33.23 70.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.181 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.5 97.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -44.06 97.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.229 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.48 81.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.37 -45.27 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.257 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.7 -48.06 82.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.56 60.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.173 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.3 -43.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.52 83.4 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.04 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.276 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.12 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.88 -45.0 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.89 77.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.45 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.72 -43.46 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.41 -43.92 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.241 174.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.3 -51.72 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.04 8.53 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.03 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -59.97 -54.15 49.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.221 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.65 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.08 75.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.48 -41.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.57 76.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.97 82.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 53.2 t80 -65.06 -36.91 85.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.97 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.1 72.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 72.6 p -64.81 -29.65 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.32 -48.97 59.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.16 -28.07 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.64 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.348 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.833 0.349 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.54 120.44 11.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.69 62.21 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.97 -0.61 47.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.18 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.22 64.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.19 -31.56 55.96 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.687 1.591 . . . . 0.0 111.234 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.82 81.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.44 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.01 96.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.233 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.41 88.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -50.84 72.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.38 -38.14 85.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.25 -41.3 98.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.46 -33.24 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.18 -41.44 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.04 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.48 -45.3 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.58 -48.14 81.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.69 -25.55 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.35 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.57 82.47 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.05 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.24 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.17 89.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.86 -45.08 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.96 77.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.57 -49.53 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.242 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.04 -28.71 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 t -64.71 -43.52 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 172.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.37 -43.96 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.27 -51.76 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.99 -42.38 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.03 8.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.05 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -60.04 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.51 -32.69 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -48.05 75.77 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -41.09 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.69 -43.52 76.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -36.03 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 52.9 t80 -64.96 -36.97 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.0 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.04 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.29 -49.0 59.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -28.13 69.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.59 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.293 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.44 120.43 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.62 62.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.04 -0.61 46.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.237 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.28 116.21 64.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.2 -31.48 55.63 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.653 1.569 . . . . 0.0 111.192 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.72 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.53 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.04 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' ALA . . . . . 0.406 ' HB3' HG13 ' Y' ' 30' ' ' VAL . . . -64.26 -45.31 88.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.9 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.33 -38.19 86.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -62.28 -41.2 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.5 -33.33 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.08 -41.51 97.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.47 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.5 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.24 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.16 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.56 -25.7 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.24 -43.84 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.266 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.46 82.98 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.63 -43.08 94.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.09 89.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.82 -45.1 75.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.63 -43.97 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.27 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.62 -49.52 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.97 -28.76 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.229 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.67 -43.53 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.41 -43.91 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.76 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.19 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.13 -42.24 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.224 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.55 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.01 74.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -60.03 -54.07 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.229 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.56 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.174 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.57 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.99 82.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 53.3 t80 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 173.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.95 82.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 3.7 t80 -56.52 -50.07 72.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.8 -29.71 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.32 -48.97 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.13 -28.17 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.69 51.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.239 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.47 120.38 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.64 62.19 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -97.11 -0.42 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.21 64.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.58 55.9 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.657 1.571 . . . . 0.0 111.165 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.39 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' Z' ' 30' ' ' VAL . . . -64.29 -45.34 88.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.11 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.14 98.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.257 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.17 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.47 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.221 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.99 -44.14 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.26 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.63 -48.08 82.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.57 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.39 -43.82 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 168.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.64 82.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.55 -43.08 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.261 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.83 -45.12 75.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.95 77.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.61 -49.53 62.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.96 -28.68 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.73 -43.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.0 -42.39 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.12 8.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.2 73.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.93 -54.08 50.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.55 -32.64 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.08 75.69 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.5 -41.22 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.21 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.58 -43.62 76.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -36.02 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 52.9 t80 -64.91 -36.99 86.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -35.93 82.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 3.6 t80 -56.56 -49.99 73.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 172.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.86 -29.74 70.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.01 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 172.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.16 -28.08 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.65 51.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.268 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.44 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.75 62.3 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.5 47.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.322 . . . . 0.0 111.209 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.26 65.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.23 -31.59 56.49 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.72 1.613 . . . . 0.0 111.175 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.8 81.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.4 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.05 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' A' ' 30' ' ' VAL . . . -64.22 -45.33 88.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.07 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.14 85.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.28 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.14 -41.47 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.48 -45.23 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.52 60.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.37 -43.88 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.65 -41.52 82.47 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.7 -43.04 94.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.17 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -67.74 -45.13 75.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.89 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.57 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.81 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.5 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.02 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 67.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.41 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -56.99 8.65 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.16 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.165 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -59.97 -54.06 50.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.48 -32.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.03 75.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.63 -41.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.59 -43.61 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -36.03 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 42' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 53.2 t80 -64.89 -37.04 86.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.92 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.1 77.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 45' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 3.7 t80 -56.45 -50.12 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 172.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -64.78 -29.67 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -69.36 -49.08 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -65.06 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.65 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.199 -1.576 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 179.285 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.47 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.64 62.32 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.1 -0.44 47.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.167 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.32 116.23 65.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.15 -31.6 55.76 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.812 1.674 . . . . 0.0 111.149 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.74 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 79.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . 0.41 ' HB3' HG13 ' B' ' 30' ' ' VAL . . . -64.27 -45.3 88.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.13 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.14 85.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.27 -41.21 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.5 -33.29 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.49 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 -48.57 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.27 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.53 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.8 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 168.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.54 82.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.68 -43.02 94.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.192 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' TRP . . . . . 0.4 ' O ' HG21 ' S' ' 30' ' ' VAL . 23.7 m95 -67.84 -45.07 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.94 77.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.51 62.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.256 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.87 -28.83 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.225 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' VAL . . . . . 0.4 HG21 ' O ' ' S' ' 26' ' ' TRP . 22.1 t -64.7 -43.5 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.32 -44.03 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.77 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.265 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.06 -42.34 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.02 8.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.03 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.219 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.99 -54.16 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.75 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.12 75.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.14 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 111.214 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.62 -43.64 76.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.21 -36.08 83.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 53.2 t80 -65.04 -36.9 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.87 -35.89 82.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 3.6 t80 -56.57 -49.97 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 73.6 p -64.91 -29.69 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.22 -49.02 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.51 0.61 51.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 179.277 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.785 0.326 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.48 11.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.68 62.4 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.53 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.27 116.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.14 -31.63 55.69 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.702 1.601 . . . . 0.0 111.147 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.13 -42.45 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 10' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' H' ' 30' ' ' VAL . . . -64.38 -45.26 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.81 72.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.48 -38.03 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.22 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.48 -33.29 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.33 90.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.07 -44.12 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.47 81.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.82 -25.55 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.4 -43.81 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 168.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.55 82.83 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.244 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.22 89.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.82 -45.04 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.95 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.66 -49.46 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.74 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 30' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' K' ' 10' ' ' ALA . 22.6 t -64.72 -43.54 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 172.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.34 -44.02 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.14 -51.91 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.96 -42.3 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.07 8.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.97 73.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.1 -54.01 51.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.6 -32.58 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.03 76.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.14 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.227 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.73 -43.52 76.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.93 82.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.266 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 53.3 t80 -65.08 -36.99 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.74 -35.94 82.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.252 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.94 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 3.6 t80 -56.46 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -64.85 -29.76 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.0 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 172.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.07 -28.19 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.73 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.497 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.275 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.727 0.299 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.59 120.43 11.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.55 62.35 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.49 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.31 116.19 64.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.16 -31.56 55.6 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.667 1.578 . . . . 0.0 111.219 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.72 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.22 -42.47 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.08 96.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 10' ' ' ALA . . . . . 0.409 ' HB3' HG13 ' D' ' 30' ' ' VAL . . . -64.23 -45.34 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.98 -50.83 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.41 -38.12 85.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.33 -41.16 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.64 -33.16 70.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.05 -44.1 97.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.205 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.22 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.1 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.7 -25.59 60.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.3 -43.9 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.255 168.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.62 -41.56 82.33 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.11 94.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.224 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.2 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.0 76.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -43.84 77.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.69 -49.48 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.94 -28.77 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.175 -173.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 30' ' ' VAL . . . . . 0.408 HG13 ' HB3' ' L' ' 10' ' ' ALA . 22.4 t -64.76 -43.5 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.94 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 -51.79 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.03 -42.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.02 8.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.48 -44.97 73.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 95.4 m -60.09 -54.03 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.61 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.96 77.0 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.253 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.53 76.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.94 82.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 42' ' ' PHE . . . . . 0.408 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 53.4 t80 -65.0 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.03 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 45' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 3.7 t80 -56.47 -50.09 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.196 172.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -64.81 -29.68 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.3 -49.1 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 172.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.98 -28.21 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.64 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.279 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.59 120.48 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.64 62.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.47 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.266 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.34 116.17 64.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.239 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.09 -31.61 55.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.657 1.571 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.33 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.192 175.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -58.1 -50.76 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.25 86.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.48 -33.27 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.53 97.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.34 90.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.28 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.08 -44.14 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.48 -45.26 76.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.14 81.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.66 -25.57 60.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.245 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.34 -43.82 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.45 83.05 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.67 -43.04 94.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.23 89.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.71 -45.18 75.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.99 77.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.59 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.7 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.52 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.46 -43.94 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.23 -51.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.2 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.03 8.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.11 73.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.227 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -60.02 -54.03 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.68 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.83 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.19 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.221 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.57 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.2 -36.0 82.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 52.9 t80 -65.04 -36.93 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 173.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.0 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 3.7 t80 -56.53 -49.96 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.277 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -64.83 -29.7 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.26 -49.04 59.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.06 -28.19 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.255 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.66 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 179.293 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.46 120.46 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.63 -9.67 62.43 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.01 -0.5 47.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.239 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.25 65.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.21 -31.54 56.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.763 1.642 . . . . 0.0 111.221 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.76 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.189 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.92 96.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 10' ' ' ALA . . . . . 0.41 ' HB3' HG13 ' F' ' 30' ' ' VAL . . . -64.27 -45.3 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.06 -50.9 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.31 -38.2 86.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.11 98.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.63 -33.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.55 97.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.95 -44.19 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.26 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.17 81.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.5 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.43 -43.8 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.56 82.47 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.17 89.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.87 -45.04 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.98 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.52 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 30' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' N' ' 10' ' ' ALA . 22.6 t -64.71 -43.46 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.43 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.98 -42.41 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -57.01 8.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.08 73.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.105 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.06 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.254 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.56 -32.64 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.04 76.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.57 -43.53 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.01 82.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 53.4 t80 -64.97 -36.92 85.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 173.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 3.7 t80 -56.46 -50.1 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -64.81 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.29 -49.07 59.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.207 172.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.16 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.69 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.2 -1.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.294 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.49 120.43 11.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.63 62.31 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.11 -0.57 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.129 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.22 116.2 64.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.295 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.19 -31.54 55.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.685 1.59 . . . . 0.0 111.2 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.43 79.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' G' ' 30' ' ' VAL . . . -64.33 -45.33 88.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.15 85.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.31 -41.18 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.47 -33.34 71.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.05 -41.6 97.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.34 90.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.03 -44.13 97.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.55 -45.19 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.68 -48.09 82.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.46 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -173.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.42 -43.79 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.242 168.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.59 83.1 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.1 94.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.18 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.1 89.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.85 -45.06 75.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.01 76.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.58 -49.54 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' J' ' 10' ' ' ALA . 22.5 t -64.72 -43.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 172.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.43 -43.98 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.03 -42.3 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.4 -57.06 8.57 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.05 -54.1 50.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.04 76.27 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.73 -43.49 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.35 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 53.3 t80 -65.03 -36.92 85.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -36.05 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.82 -34.16 77.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.98 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 172.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -64.83 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.29 -49.02 59.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.07 -28.14 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.215 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.7 51.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 179.249 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.5 120.48 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.7 62.4 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.01 -0.49 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.23 116.16 64.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.217 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.17 -31.65 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.789 1.659 . . . . 0.0 111.144 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.78 81.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.3 79.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.97 97.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 10' ' ' ALA . . . . . 0.404 ' HB3' HG13 ' D' ' 30' ' ' VAL . . . -64.33 -45.25 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.173 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.13 -50.86 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.09 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -41.18 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.5 -33.27 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.06 -41.62 97.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.53 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.22 175.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -44.18 97.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.49 81.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.25 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.06 82.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.78 -25.5 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.38 -43.84 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 168.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.64 82.67 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.52 -43.13 95.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.09 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.9 -45.08 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.89 77.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.59 -49.58 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' P' ' 10' ' ' ALA . 22.5 t -64.67 -43.5 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.39 -44.03 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.2 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.02 -42.41 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.06 8.49 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.32 -45.06 73.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.201 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -54.06 50.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.6 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.29 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.18 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.64 76.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.16 -36.03 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 52.9 t80 -64.94 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.9 -35.82 82.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.219 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -34.01 76.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 3.7 t80 -56.49 -50.03 72.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 75.1 p -64.89 -29.75 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.23 -49.04 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.229 172.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.15 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.35 0.53 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.324 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.53 120.45 11.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.61 -9.55 62.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.05 -0.46 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 111.273 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.38 116.26 65.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.27 -31.5 56.47 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.642 1.561 . . . . 0.0 111.19 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.44 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.94 96.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 10' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' I' ' 30' ' ' VAL . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.8 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.1 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.17 98.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.264 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.53 -33.31 71.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.04 -41.58 97.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.38 90.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.01 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.205 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.17 77.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.213 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.72 -25.64 60.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.69 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 168.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.53 83.32 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.301 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.12 89.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.79 -45.18 75.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.6 -49.52 62.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.8 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 30' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' Q' ' 10' ' ' ALA . 22.5 t -64.73 -43.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.0 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.24 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.28 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.95 8.75 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -44.98 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.211 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 97.5 m -59.98 -54.04 50.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.63 -32.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.11 75.55 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.54 -41.13 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.56 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.97 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 53.3 t80 -64.98 -36.94 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 173.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.01 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 3.7 t80 -56.52 -49.99 73.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.33 -49.07 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.99 -28.2 69.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.4 0.53 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.247 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 179.317 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.53 120.43 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.69 62.28 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.08 -0.53 46.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.27 65.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.232 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.23 -31.45 55.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.683 1.588 . . . . 0.0 111.238 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.75 82.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.38 79.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.95 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.239 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.11 -50.76 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.35 -38.26 86.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.19 -41.23 98.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.47 -33.28 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.03 -41.57 97.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.254 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.49 90.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.16 97.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.269 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.23 77.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.5 60.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.83 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.6 82.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.06 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.223 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.73 -45.15 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.56 -49.64 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.85 -28.69 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.284 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.77 -43.58 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.38 -43.91 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.81 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.05 -42.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.08 8.52 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.02 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.22 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -59.97 -54.1 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.248 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.54 -32.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.91 -48.11 74.95 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.55 -41.16 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.237 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.57 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.26 -35.93 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.24 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.15 -36.79 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.88 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.88 -34.12 77.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.46 -50.01 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.83 -29.79 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.27 -49.06 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 172.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.02 -28.21 69.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.68 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.201 -1.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 179.327 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.792 0.33 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.53 120.42 11.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.76 -9.71 62.19 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -97.03 -0.49 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.3 116.17 64.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.27 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.23 -31.54 56.22 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.636 1.557 . . . . 0.0 111.218 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.36 88.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 85.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.2 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.18 98.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.15 -41.51 97.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.94 -44.21 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.55 -45.18 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.15 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.5 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.38 -43.83 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 168.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.45 82.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.71 -42.94 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.182 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.08 89.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.165 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.92 -45.12 75.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.48 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.94 -28.8 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.67 -43.43 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.21 -51.81 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.01 -42.29 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.08 8.49 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -53.98 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.09 75.55 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.55 -41.16 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 111.239 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.09 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.04 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.22 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.53 -49.92 73.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -64.93 -29.72 70.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.181 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.24 -49.1 59.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.04 -28.2 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.7 51.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.286 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.812 0.339 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.41 120.5 11.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.59 -9.67 62.5 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.51 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 111.178 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.2 64.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.22 -31.48 55.82 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.677 1.585 . . . . 0.0 111.237 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.47 80.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.227 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.26 88.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.194 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.81 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.38 -38.1 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.249 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.14 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.6 -33.28 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.54 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.44 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.0 -44.07 97.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.3 76.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.147 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.59 -48.1 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.58 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.38 -43.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 168.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.59 83.25 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.05 95.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.755 0.312 . . . . 0.0 111.229 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.16 89.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.05 75.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.248 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.254 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.54 62.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.92 -28.81 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -173.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.68 -43.51 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.4 -43.91 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.02 8.59 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.98 73.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.11 -54.03 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.63 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.99 76.77 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.49 -41.28 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.54 -43.57 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.34 -35.94 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -64.96 -37.0 86.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.9 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.232 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 172.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.81 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.244 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -69.28 -48.95 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 172.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.21 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.37 0.51 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 179.343 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.48 120.39 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.248 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.62 62.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.1 -0.5 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.25 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.25 -31.57 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.74 1.626 . . . . 0.0 111.194 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.74 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.257 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.4 79.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.32 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.12 -50.78 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.34 -41.15 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.57 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.238 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.34 90.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.46 -45.31 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.13 82.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.68 -25.53 60.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.44 -43.73 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.5 83.42 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.61 -43.02 95.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 111.22 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.13 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.264 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.78 -45.16 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.96 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.46 62.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.86 -28.86 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.69 -43.49 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.34 -43.98 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.23 -51.71 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.15 -42.29 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.54 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.07 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -54.03 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -74.55 -32.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -48.0 76.93 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.58 -41.1 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.51 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -36.01 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -64.98 -37.0 86.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.72 -35.98 82.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.42 -50.05 72.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.88 -29.72 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.01 59.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.17 -28.11 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.69 51.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 179.277 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.56 120.43 11.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.74 -9.58 62.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.07 -0.52 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.22 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.33 116.2 64.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.226 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.13 -31.49 55.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.681 1.587 . . . . 0.0 111.233 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.79 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.4 80.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.98 96.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.34 88.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.05 -50.82 72.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.2 86.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.21 -41.21 98.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.52 -33.26 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.06 -44.0 97.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 96.0 m -55.56 -45.27 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.57 -48.04 82.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.285 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.62 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.32 -43.85 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 168.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.7 -41.47 82.7 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.06 94.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 111.198 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.245 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.81 -45.1 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.93 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.52 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.8 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.68 -43.49 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 172.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.44 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.0 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.12 8.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.0 74.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.327 . . . . 0.0 111.29 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.02 -54.08 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.64 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.0 77.07 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.61 -41.09 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.192 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.59 -43.6 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -35.92 82.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.07 -36.94 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.81 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.07 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.51 -50.08 72.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 75.2 p -64.87 -29.65 70.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.3 -49.03 59.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 172.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.14 -28.12 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.39 0.56 51.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.213 179.299 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.48 120.44 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.77 62.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.52 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.24 116.17 64.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.244 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.15 -31.61 55.75 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.744 1.629 . . . . 0.0 111.144 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.29 -42.34 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.202 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.06 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.41 88.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.78 72.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.21 86.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.11 98.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.59 -33.25 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.12 -41.52 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.45 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.248 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.48 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -55.39 -45.25 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.289 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.01 82.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.198 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.34 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.52 83.26 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 171.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.22 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.75 -45.15 75.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.95 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.47 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.0 -28.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 -173.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.7 -43.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.201 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.44 -43.9 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.29 -51.81 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.96 -42.29 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.269 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.44 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.03 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.175 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -54.01 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.69 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.05 76.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.15 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.171 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.7 -43.54 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.05 82.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.9 -36.98 86.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.91 -35.89 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.03 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.263 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.56 -49.96 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -29.7 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.3 -49.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.51 0.65 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.494 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.259 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.84 0.352 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.54 120.46 11.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.226 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.66 62.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.56 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.24 116.22 64.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.1 -31.62 55.21 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.706 1.604 . . . . 0.0 111.242 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.65 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.44 79.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.25 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.14 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.15 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.47 -33.36 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.99 -41.57 97.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.37 90.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.21 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.05 -44.06 97.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.6 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.47 -45.21 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.63 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.31 -43.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.07 94.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.22 89.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.8 -45.07 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.83 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.67 -49.56 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.62 -43.48 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.277 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.4 -43.94 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.27 -51.77 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.97 -42.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.236 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.45 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.09 73.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.71 0.291 . . . . 0.0 111.113 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.02 -54.02 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.256 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.52 -32.66 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.238 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.02 76.52 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.55 -41.14 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.233 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.59 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.22 -36.04 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.238 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.75 -35.9 82.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.98 76.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.51 -50.06 72.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 73.1 p -64.75 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.22 -49.05 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 172.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.23 -27.98 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.56 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.235 179.282 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.344 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.44 120.41 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.64 62.33 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.5 47.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.205 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -31.55 56.45 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.657 1.571 . . . . 0.0 111.227 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.81 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.29 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.3 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.12 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.17 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.52 -33.27 70.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.12 -41.49 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.227 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.38 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.04 -44.11 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.48 81.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -55.57 -45.21 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.5 60.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.39 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.63 82.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.54 -43.07 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.9 -45.02 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.67 -49.55 62.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.74 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -173.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.76 -43.45 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.24 -51.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.42 94.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.05 -54.08 50.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.5 -32.66 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.14 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 111.22 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.53 -43.68 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.23 -35.99 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.99 -36.99 86.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.85 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.05 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.45 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 73.3 p -64.92 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -69.37 -48.97 59.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.14 -28.04 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.66 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 179.254 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.52 120.51 11.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.6 -9.59 62.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.05 -0.52 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.142 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.19 64.88 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.21 -31.56 56.13 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.707 1.604 . . . . 0.0 111.206 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.7 81.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.38 79.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.96 96.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.43 88.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.02 -50.84 72.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -41.11 98.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.49 -33.39 71.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.51 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.42 90.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.98 -44.18 97.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.46 81.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.47 -45.24 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.76 -25.46 60.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -173.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.48 -43.73 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.54 83.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 111.138 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.22 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.73 -45.18 75.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.229 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.224 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.69 -49.45 62.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.98 -28.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.67 -43.58 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -43.9 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.33 -51.74 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.41 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.14 8.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.11 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.167 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -54.01 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.72 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.97 76.87 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.59 -41.15 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.157 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.6 -43.62 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.28 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.08 -36.91 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.92 -35.81 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.02 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.237 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.54 -50.03 73.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.9 -29.66 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.25 -49.12 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.07 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.69 51.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.199 -1.582 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.336 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.37 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.74 25.3 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.31 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.127 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.58 145.19 96.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.86 -28.88 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.69 1.593 . . . . 0.0 111.208 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.48 79.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.23 -36.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.94 99.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 174.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.13 98.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.27 -41.05 96.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.5 -42.56 92.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -42.02 96.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.29 -47.35 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.52 92.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -35.74 79.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -58.54 -43.15 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.84 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.4 -37.78 87.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.56 -42.97 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.88 94.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.8 -39.32 90.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.56 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.211 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.14 -40.13 84.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.82 72.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.64 28.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.7 -26.24 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.09 -48.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.49 -41.85 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.61 -39.4 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -52.44 26.52 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.61 93.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.81 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.187 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -45.51 87.29 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.32 -39.54 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.73 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 HD21 ' HD2' ' A' ' 44' ' ' LYS . 89.7 mt -64.98 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 175.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.5 -39.04 82.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.43 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' HD2' HD21 ' A' ' 41' ' ' LEU . 68.5 mttm -64.45 -39.22 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.54 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 167.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -54.76 -41.87 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.05 -40.91 82.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.82 -29.26 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.94 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -178.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.59 124.45 20.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -16.76 25.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 111.151 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.46 145.13 97.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.86 -28.92 50.47 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.699 1.599 . . . . 0.0 111.187 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.49 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 173.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.7 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.08 99.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.27 98.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.16 -41.1 96.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.5 -42.56 91.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.28 -41.61 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.43 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.57 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.92 -35.7 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.216 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.58 -43.15 89.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.89 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.4 -37.85 87.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.51 -42.98 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.04 -43.74 94.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.6 68.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.02 -40.16 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.91 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.64 27.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.96 -48.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.67 -26.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -172.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.23 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.51 -41.81 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.291 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.66 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.46 26.21 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.51 92.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 111.164 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.34 -55.89 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.27 -41.08 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.264 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.52 86.99 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.35 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.32 -41.73 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.4 HD21 ' HD2' ' B' ' 44' ' ' LYS . 89.6 mt -64.99 -36.57 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 175.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.52 -39.08 82.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD21 ' B' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 176.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.62 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.88 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.192 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.05 -40.92 82.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.222 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.8 -29.21 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.285 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.89 35.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.593 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -178.663 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.41 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.99 -16.84 25.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.227 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.48 145.19 97.08 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.89 -28.85 50.31 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.738 1.626 . . . . 0.0 111.191 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.5 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.51 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.07 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.06 96.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.47 -42.53 92.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.277 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -42.11 96.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.36 -47.3 84.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.52 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.98 -35.72 78.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.33 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.16 89.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.85 87.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.214 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.47 -43.08 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.86 94.63 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.27 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.195 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.62 68.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.206 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.18 -40.16 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.96 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.11 -43.64 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.72 -26.17 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -172.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.52 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.65 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.98 -52.44 26.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.63 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.03 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.47 87.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.36 -39.49 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.25 -41.82 93.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' C' ' 44' ' ' LYS . 89.4 mt -64.85 -36.67 85.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 175.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.05 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' C' ' 41' ' ' LEU . 68.5 mttm -64.47 -39.2 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 176.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.48 -49.71 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.87 -41.79 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.05 -40.99 82.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.73 -29.28 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.86 35.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.218 -178.694 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.51 124.44 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.196 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.85 -16.72 25.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.44 -35.39 75.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 111.185 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.49 145.1 97.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.8 -28.86 51.05 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.658 1.572 . . . . 0.0 111.253 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.51 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.58 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.06 99.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.16 98.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.239 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.55 -42.51 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.01 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.62 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.57 91.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.232 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.61 -43.1 89.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.93 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.34 -37.89 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.49 -43.05 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.83 -43.93 94.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.23 90.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.237 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.55 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.14 -40.09 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.28 -43.64 27.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.96 -48.83 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.63 -26.19 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -172.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.26 -48.2 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.91 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.6 -39.36 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.05 -52.41 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.63 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.79 27.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.12 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.57 86.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.28 -39.54 84.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.68 94.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.244 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' D' ' 44' ' ' LYS . 90.2 mt -65.09 -36.47 84.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.51 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' D' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.212 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.69 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.229 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.81 -41.83 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.92 82.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.89 -29.15 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.91 35.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.726 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.37 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.83 25.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.42 -35.29 75.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.715 0.293 . . . . 0.0 111.21 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.51 145.12 97.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.237 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.87 -28.84 50.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.685 1.59 . . . . 0.0 111.197 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.49 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.205 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.09 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.34 -40.95 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 75.3 m -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.43 -47.32 84.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.5 92.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.94 -35.68 78.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.3 96.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.6 -43.22 89.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.24 -48.96 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.33 -37.9 87.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.43 -43.08 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.74 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.97 -39.22 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.746 0.308 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.66 68.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.03 -40.19 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.87 -37.9 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.243 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.72 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -172.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.22 -48.08 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.66 -41.81 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.51 25.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -55.32 -55.83 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.18 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.52 86.82 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.25 -39.55 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.72 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' E' ' 44' ' ' LYS . 89.8 mt -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.222 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.99 82.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.55 72.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' E' ' 41' ' ' LEU . 68.5 mttm -64.33 -39.25 93.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 167.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.8 -41.84 71.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.04 -40.93 82.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.91 -29.2 39.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.85 35.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -178.641 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.49 124.34 20.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.79 25.17 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.52 -35.25 75.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.53 145.08 96.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.78 -28.94 51.17 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.724 1.616 . . . . 0.0 111.19 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.41 79.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.66 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 174.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.08 96.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.233 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.48 -42.54 92.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.269 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.26 -42.04 96.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.69 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.34 84.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.69 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.32 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.61 -43.17 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.86 79.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.47 -43.11 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.89 94.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.29 90.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.6 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.1 -40.12 84.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.92 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.25 -43.62 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.03 -48.74 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.22 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.07 -48.29 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.9 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.58 -39.45 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.46 26.01 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 92.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.743 0.306 . . . . 0.0 111.193 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.35 -55.78 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.14 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.58 86.54 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.28 -39.53 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.97 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.59 -38.95 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.58 -34.45 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.26 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.69 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.259 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t -57.99 -40.95 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.277 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.93 -29.15 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.225 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.96 35.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -178.661 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.57 124.35 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.89 25.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.53 -35.18 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 111.193 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.58 145.15 96.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.87 -28.9 50.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.52 79.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.54 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.26 98.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.2 -41.06 96.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.48 -42.52 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.37 -41.95 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.53 96.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.47 -47.25 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.78 79.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.39 96.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.65 -43.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.43 -48.87 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.84 87.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.84 94.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.9 -39.21 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.59 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.09 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.82 72.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.71 27.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.84 -48.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.73 -26.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.09 -48.26 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.55 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.57 -39.49 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 84.4 m -55.43 -55.77 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.33 -41.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.58 86.48 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.28 -39.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.209 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.65 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' G' ' 44' ' ' LYS . 89.6 mt -65.0 -36.66 85.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 175.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.45 -39.05 82.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 171.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' G' ' 41' ' ' LEU . 68.5 mttm -64.34 -39.23 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.49 -49.71 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.84 -41.82 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.211 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.95 82.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.81 -29.22 40.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.271 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.91 35.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.6 124.4 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.81 25.31 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.39 -35.34 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.44 145.15 97.1 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.9 -28.88 50.17 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.201 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.53 79.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 173.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.25 -36.67 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.1 99.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.19 98.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.1 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.46 91.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.3 -42.07 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.61 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.34 84.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.58 91.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.94 -35.71 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.36 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.14 89.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.88 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.42 -37.86 87.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.202 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -43.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.81 94.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.95 -39.22 90.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.64 68.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.78 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.35 -43.56 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.187 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.85 -48.94 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.2 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.2 -48.25 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.51 -41.8 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.64 -39.51 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.53 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.53 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.41 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.11 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.55 86.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.27 -41.77 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.93 -36.63 85.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.56 -34.48 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.42 -39.12 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.21 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.7 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.81 -41.86 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.02 -41.01 82.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.88 -29.09 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.34 -19.87 35.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 -178.71 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.773 0.32 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.58 124.42 20.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.91 -16.75 25.45 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 -35.35 75.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.46 145.21 97.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.95 -28.87 49.79 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.702 1.601 . . . . 0.0 111.168 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.39 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.39 -36.6 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.07 98.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.02 96.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.52 -42.47 91.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.27 -42.11 96.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.65 96.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.37 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.5 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -68.04 -35.7 78.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.58 -43.12 89.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.79 80.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.41 -37.87 87.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.48 -43.09 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.194 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.92 94.53 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.86 -39.3 90.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.17 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.68 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.09 -40.09 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.32 -43.61 27.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.92 -48.84 86.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.62 -26.25 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -172.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.52 -41.87 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.65 -39.37 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.96 -52.47 26.1 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.52 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 85.9 m -55.34 -55.83 27.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.4 -41.09 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.56 86.74 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.29 -39.56 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.215 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' I' ' 44' ' ' LYS . 89.9 mt -64.93 -36.56 84.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -38.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.57 -34.51 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' I' ' 41' ' ' LEU . 68.5 mttm -64.38 -39.17 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.61 -49.63 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.205 167.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.8 -41.85 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.0 -40.95 82.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.92 35.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -178.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.55 124.35 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.78 25.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.43 -35.33 75.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.345 . . . . 0.0 111.204 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.47 145.17 97.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.9 -28.86 50.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.671 1.581 . . . . 0.0 111.22 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.28 -36.67 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.266 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.19 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.06 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.5 -42.57 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.31 -47.33 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.62 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.71 78.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.27 96.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.234 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.6 -43.17 89.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.89 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -42.99 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.23 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.78 94.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.9 -39.21 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.251 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.56 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.07 -40.2 84.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.85 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.65 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.73 -26.16 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -172.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.228 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.209 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.74 -39.36 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.53 93.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.5 86.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.32 -39.56 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.79 94.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 41' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' J' ' 44' ' ' LYS . 89.3 mt -64.88 -36.6 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.59 -39.0 82.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.5 72.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD21 ' J' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.24 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.291 175.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.5 -49.72 71.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.253 167.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 87.4 m -54.74 -41.78 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.09 -40.95 82.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.94 -29.07 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -178.606 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.55 124.39 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.98 -16.88 25.21 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.44 -35.33 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.5 145.13 97.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.86 -28.85 50.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.669 1.579 . . . . 0.0 111.206 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.44 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.28 -36.61 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.259 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.03 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.08 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.46 -42.51 92.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.232 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.35 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.52 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.9 -35.66 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.42 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 97.9 m -58.49 -43.18 88.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.41 -37.74 86.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.59 -42.94 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.72 95.0 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.92 -39.36 90.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.194 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.56 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.13 84.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.228 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.01 -37.86 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.69 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.8 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.69 -26.25 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -172.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.09 -48.27 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.54 -41.77 93.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.62 -39.5 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.42 26.13 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.57 93.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.39 -55.81 27.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.228 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.13 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.57 86.49 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.23 -39.56 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.96 -36.53 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.56 -39.03 82.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.45 72.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.35 -39.29 93.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.61 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 167.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.8 -41.92 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.01 -40.92 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.277 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.22 -19.91 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.39 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.8 25.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.45 -35.22 75.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.26 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.55 145.11 96.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.73 -28.98 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.7 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.09 99.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.18 98.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.21 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.57 91.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -41.96 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.32 -41.58 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.42 -47.3 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.49 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.88 -35.73 79.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.258 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.59 -43.18 89.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.75 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.55 -43.08 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.83 94.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.21 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.278 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.09 -40.14 84.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.64 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.243 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.99 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.26 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.16 -48.2 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.58 -41.79 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.65 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.38 26.13 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.57 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.38 -55.85 26.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.29 -41.07 83.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.6 86.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.58 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.166 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.79 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 41' ' ' LEU . . . . . 0.408 HD21 ' HD2' ' L' ' 44' ' ' LYS . 89.8 mt -64.91 -36.66 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 42' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.43 -39.09 82.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.262 171.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.45 -34.59 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD21 ' L' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 176.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.63 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.87 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.11 -40.9 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.194 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.89 -29.19 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.84 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.199 -1.601 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -178.707 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.58 124.48 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -16.79 25.51 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.29 75.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.12 97.03 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -65.86 -28.85 50.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.689 1.593 . . . . 0.0 111.258 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.59 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.186 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.07 99.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.14 96.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.56 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -42.08 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.19 -41.65 96.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.3 84.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.45 92.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.71 78.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.31 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.55 -43.2 89.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.92 79.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.76 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.259 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.61 -43.03 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.81 94.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.4 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.71 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.05 -40.09 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.94 72.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.16 -43.71 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.66 -26.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -172.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.19 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.59 -39.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.1 -52.41 26.95 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.6 93.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.307 . . . . 0.0 111.216 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.34 -55.76 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.59 86.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.63 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 111.192 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.22 -41.81 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' M' ' 44' ' ' LYS . 89.7 mt -65.06 -36.44 84.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.227 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.58 -39.03 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 171.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.63 -34.47 72.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' M' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.26 93.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.207 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.52 -49.64 72.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.82 -41.88 71.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.06 -40.87 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.89 -29.23 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.9 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -178.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.871 0.367 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.59 124.33 20.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.08 -16.81 24.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.51 -35.28 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.758 0.313 . . . . 0.0 111.158 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.46 145.14 97.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 175.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.88 -28.84 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.682 1.588 . . . . 0.0 111.213 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.5 79.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.71 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.12 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.28 98.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.04 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.48 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.66 96.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.36 84.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.54 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.31 -48.89 79.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -62.4 -37.82 87.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.01 -43.72 94.92 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.92 -39.23 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.07 -40.07 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.205 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.81 72.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.21 -43.71 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.03 -48.7 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.69 -26.25 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.53 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.58 -39.45 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.5 25.8 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.58 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.247 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.33 -55.85 26.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -40.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.62 86.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.2 -39.55 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.266 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.4 -41.79 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.0 82.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.53 -34.46 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.43 -39.25 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 167.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.76 -41.83 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.17 -40.93 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.85 -29.19 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.83 35.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -178.641 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.66 124.45 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.9 -16.74 25.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.51 -35.3 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.41 145.14 97.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -65.84 -28.97 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.719 1.613 . . . . 0.0 111.144 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 174.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.62 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.22 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.17 -41.11 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.55 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.61 96.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.47 83.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.61 91.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.79 79.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.28 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 96.7 m -58.64 -43.1 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.92 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.44 -37.71 86.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.76 94.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.208 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.68 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.01 -40.16 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.65 27.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.88 -48.87 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.31 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.1 -48.21 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.6 -39.45 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.55 25.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.59 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.88 26.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.24 -41.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.61 86.36 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 111.219 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 41' ' ' LEU . . . . . 0.405 HD21 ' HD2' ' O' ' 44' ' ' LYS . 89.9 mt -65.02 -36.5 84.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 175.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.72 -38.86 82.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 171.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.65 -34.44 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD21 ' O' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.14 -40.91 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.79 -29.24 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.89 35.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -178.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.66 124.44 20.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.72 25.3 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.48 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.199 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.51 145.14 97.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.81 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.72 1.614 . . . . 0.0 111.191 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.44 79.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.42 -36.51 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.2 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.22 -41.11 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.49 -42.55 92.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.31 -42.03 96.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.27 -41.51 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.48 -47.31 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.43 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.95 -35.72 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.34 96.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.239 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -58.55 -43.15 89.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.265 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.36 -48.91 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.44 -37.75 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -42.98 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.227 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.85 94.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.85 -39.3 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.257 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.7 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -58.99 -40.25 84.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.212 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.88 71.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.24 -43.67 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.92 -48.86 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.233 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.6 -26.24 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.56 -41.78 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.66 -39.52 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.36 26.34 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.54 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.33 -55.88 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.08 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.245 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.62 86.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.3 -41.81 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . 0.401 HD21 ' HD2' ' P' ' 44' ' ' LYS . 89.8 mt -64.9 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 175.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.54 -38.99 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.64 -34.42 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 44' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' P' ' 41' ' ' LEU . 68.5 mttm -64.54 -39.16 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.53 -49.67 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.185 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -54.79 -41.85 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.25 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t -58.06 -40.94 82.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.29 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.84 -29.19 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.87 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -178.655 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.53 124.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.03 -16.78 25.12 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.5 -35.26 75.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.196 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.56 145.14 96.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.75 -28.98 51.33 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.706 1.604 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.66 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.28 98.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.03 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.57 91.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.03 96.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.59 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.28 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.5 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.47 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.54 -43.19 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.39 -37.81 87.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.49 -43.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.81 94.69 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.82 -39.32 90.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.224 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.54 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.185 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.26 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.9 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.65 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.04 -48.78 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.57 -26.33 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.225 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.49 -41.9 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.246 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.55 -39.52 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.43 25.81 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.49 92.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.179 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.4 -55.77 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -41.03 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.52 87.03 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.24 -39.61 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.188 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.25 -41.79 93.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 41' ' ' LEU . . . . . 0.408 HD21 ' HD2' ' Q' ' 44' ' ' LYS . 89.5 mt -64.97 -36.64 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 175.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.52 -39.06 82.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.47 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 44' ' ' LYS . . . . . 0.408 ' HD2' HD21 ' Q' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.27 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.53 -49.64 72.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.89 -41.83 71.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.06 -40.89 82.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -29.21 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.28 -19.9 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.793 0.33 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.63 124.41 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.75 25.36 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.49 -35.37 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 111.163 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.38 145.1 97.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.82 -28.99 50.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.615 . . . . 0.0 111.168 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.49 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.21 -36.69 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.18 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.17 -41.12 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.57 -42.54 91.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.6 96.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.3 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.52 92.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.92 -35.67 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.47 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.59 -43.02 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.25 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.87 79.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.47 -37.79 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.07 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.84 94.72 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.37 90.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -51.65 68.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.04 -40.14 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.91 72.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.15 -43.75 27.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.91 -48.78 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.66 -26.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -172.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.1 -48.19 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.61 -41.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.63 -39.49 83.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.42 26.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.6 93.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.28 -55.88 26.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.07 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.45 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.28 -39.57 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 111.155 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.77 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' R' ' 44' ' ' LYS . 89.8 mt -65.01 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.06 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.44 72.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' R' ' 41' ' ' LEU . 68.5 mttm -64.42 -39.26 93.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' R' R ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.56 -49.65 72.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 167.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.79 -41.87 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.03 -41.0 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -29.19 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.91 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -178.672 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.806 0.336 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.6 124.37 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.78 25.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.51 -35.31 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.52 145.1 96.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -65.78 -28.88 51.18 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.726 1.617 . . . . 0.0 111.248 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.52 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.64 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.01 99.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.225 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.24 -41.09 96.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.56 -42.45 91.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.26 -42.1 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.39 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.62 91.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.96 -35.69 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.6 -43.09 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.39 -37.9 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.05 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.29 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.169 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.63 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.17 84.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.88 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.66 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.97 -48.79 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.68 -26.22 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.25 -48.18 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.58 -39.46 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.217 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.53 25.64 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.51 93.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.257 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.38 -55.9 26.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.32 -41.15 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.61 86.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.25 -39.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.219 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.1 -36.43 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 42' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.45 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.29 93.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.64 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.78 -41.83 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.08 -40.94 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.19 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.86 35.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.78 0.324 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.65 124.4 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.82 25.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.2 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.26 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.59 145.2 96.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.87 -28.91 50.41 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.688 1.592 . . . . 0.0 111.201 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.46 79.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.05 96.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.52 -42.5 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.31 -41.97 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.58 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.237 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.43 96.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -43.16 88.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 174.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.47 -48.77 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.46 -37.75 87.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.08 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.234 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.8 94.78 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.65 68.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -58.99 -40.21 84.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.216 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.77 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.23 -43.67 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.98 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.61 -26.28 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.17 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.57 -39.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.196 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.44 25.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.62 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.26 -55.9 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.1 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.56 86.38 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.34 -39.53 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.81 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.49 -39.07 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.59 -49.67 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.74 -41.88 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.13 -40.82 82.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.95 -29.15 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.81 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.679 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.33 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.07 -16.81 25.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.49 -35.28 75.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 111.204 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.48 145.16 97.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.85 -28.93 50.61 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.741 1.627 . . . . 0.0 111.174 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.51 79.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.219 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.7 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.21 99.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.26 98.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.62 92.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.229 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.17 -42.1 96.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.25 -41.58 96.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.43 -47.34 84.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.52 92.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.93 -35.67 78.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.45 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.51 -43.12 89.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -62.32 -37.85 87.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.82 94.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.86 -39.31 90.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.57 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.83 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.24 -43.68 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.67 -26.19 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.24 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.57 -41.75 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.66 -39.47 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.45 26.1 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.69 93.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.12 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.62 86.46 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.24 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.77 94.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' U' ' 44' ' ' LYS . 89.3 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' U' U ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -39.04 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.188 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.48 -34.58 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' U' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.25 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' U' U ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.43 -49.69 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.267 167.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.82 -41.81 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.01 -41.01 82.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.84 -29.21 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.9 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -178.683 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.851 0.357 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.51 124.28 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.243 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.78 25.15 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.29 75.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.47 145.15 97.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.84 -28.88 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.704 1.603 . . . . 0.0 111.198 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.5 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 173.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.63 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.1 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.13 98.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.07 96.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.48 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.58 97.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.278 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.45 -47.31 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.48 92.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.97 -35.68 78.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.33 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.67 -43.14 89.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.8 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.95 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -176.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.45 -43.12 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.85 94.72 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.86 -39.27 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.6 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.04 -40.19 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.87 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.63 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.83 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.71 -26.28 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -172.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.21 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.59 -41.84 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.6 -39.47 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.84 -52.48 25.52 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.52 92.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -55.44 -55.75 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.07 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -45.57 86.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.182 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.79 93.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 41' ' ' LEU . . . . . 0.407 HD21 ' HD2' ' V' ' 44' ' ' LYS . 89.7 mt -64.95 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' V' V ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.57 -38.99 82.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.61 -34.47 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 44' ' ' LYS . . . . . 0.407 ' HD2' HD21 ' V' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.28 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' V' V ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.58 -49.58 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 167.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.86 -41.79 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.242 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.95 82.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.82 -29.27 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.92 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.65 124.44 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.91 -16.74 25.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.35 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 111.18 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.4 145.18 97.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.93 49.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.7 1.6 . . . . 0.0 111.18 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.36 -36.55 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.04 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.226 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.21 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.13 -41.16 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.52 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.29 -41.56 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.36 83.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.51 92.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.72 78.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 96.8 m -58.6 -43.15 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.77 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.55 -43.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.75 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.8 -39.3 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.22 -40.09 84.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.81 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.23 -43.68 27.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.256 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.9 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.286 -173.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.22 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.249 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.2 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.38 26.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 85.2 m -55.25 -55.92 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.03 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -45.68 86.03 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.34 -41.74 94.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.01 -36.55 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.61 -38.97 82.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 171.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.42 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.21 93.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.54 -49.66 72.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 167.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.76 -41.88 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.08 -40.91 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.89 -29.24 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.84 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.297 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 -178.679 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.64 124.42 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.79 25.27 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.47 -35.35 75.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.143 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.16 97.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.9 -28.89 50.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.714 1.609 . . . . 0.0 111.167 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.53 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.26 -36.68 69.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.266 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.15 98.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.11 96.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.04 96.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.28 -41.58 96.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.39 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.51 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.96 -35.76 78.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.31 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.53 -43.18 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.218 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.82 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.55 -37.76 87.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.51 -43.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.83 94.75 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.59 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.13 -40.16 84.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.81 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.77 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.85 -48.88 85.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -173.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.249 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.16 -48.16 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.256 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.84 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.67 -39.43 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.45 25.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.61 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.33 -55.83 27.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.12 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.58 86.79 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.53 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.199 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.74 94.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 41' ' ' LEU . . . . . 0.406 HD21 ' HD2' ' X' ' 44' ' ' LYS . 89.7 mt -65.04 -36.5 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.56 -39.04 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 171.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 44' ' ' LYS . . . . . 0.406 ' HD2' HD21 ' X' ' 41' ' ' LEU . 68.5 mttm -64.39 -39.18 93.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.62 -49.66 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 167.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.16 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.87 -29.22 39.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.78 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -178.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.709 0.29 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.64 124.4 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.99 -16.78 25.22 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.52 -35.29 75.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.12 97.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.93 -28.78 50.02 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.666 1.577 . . . . 0.0 111.16 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.48 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.64 68.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.2 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.14 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.28 -40.99 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.62 -42.46 91.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.6 96.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.32 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.5 92.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.226 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.89 -35.73 79.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.38 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.61 -43.16 89.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.46 -37.81 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.51 -43.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.86 94.69 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.85 -39.35 90.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 111.2 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.61 68.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.13 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.222 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.84 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.64 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.97 -48.81 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.25 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.13 -48.21 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.8 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.61 -39.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.52 92.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 83.7 m -55.41 -55.83 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -45.59 86.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.26 -39.57 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.189 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 41' ' ' LEU . . . . . 0.401 HD21 ' HD2' ' Y' ' 44' ' ' LYS . 89.7 mt -65.02 -36.5 84.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.55 -39.1 82.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.54 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 44' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' Y' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.26 93.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 176.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.65 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 167.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.85 -41.77 71.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.273 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.08 -40.93 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.84 -29.26 40.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.81 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -178.689 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.75 0.309 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.38 20.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.18 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.8 25.2 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.45 -35.45 75.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.45 145.18 97.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.92 -28.87 50.07 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.193 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.58 79.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.64 69.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.1 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 174.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.31 -41.03 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.45 91.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.08 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.32 84.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.58 91.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.86 -35.82 79.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.32 96.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.56 -43.21 89.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.35 -37.88 87.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.21 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.87 94.77 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.89 -39.32 90.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.184 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.54 69.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.296 175.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -59.14 -40.14 84.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.218 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.22 -43.66 27.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.94 -48.81 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.66 -26.27 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.21 -172.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.05 -48.31 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.51 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.7 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.55 25.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.64 93.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 84.6 m -55.45 -55.71 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.196 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.47 -41.09 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.54 86.48 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.31 -39.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.24 -41.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 41' ' ' LEU . . . . . 0.409 HD21 ' HD2' ' Z' ' 44' ' ' LYS . 89.6 mt -64.98 -36.53 84.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.25 175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Z' Z ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.46 -39.09 82.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.54 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 44' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' Z' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Z' Z ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.62 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 167.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.91 -41.75 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.85 82.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.97 -29.11 39.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.25 -20.01 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.236 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -178.649 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.61 124.46 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.74 25.42 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.43 -35.42 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 111.204 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.4 145.11 97.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.84 -28.92 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.707 1.604 . . . . 0.0 111.177 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.45 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.68 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.232 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.0 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.29 -42.09 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.18 -41.63 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.235 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.29 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.43 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.99 -35.66 78.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.57 -43.2 89.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.86 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.4 -37.78 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.49 -43.09 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.84 94.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.23 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 111.27 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.66 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.05 -40.17 84.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.85 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.18 -43.66 27.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.96 -48.87 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -173.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 28.8 m -70.65 -26.21 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.2 -48.13 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.61 -41.84 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.57 -39.58 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.44 25.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.56 92.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.35 -55.77 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.39 -41.09 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.55 86.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.35 -41.67 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.281 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.55 -38.98 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.222 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.67 -34.47 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.36 93.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.67 71.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 167.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.77 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.91 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.84 -29.23 40.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.84 35.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -178.741 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.6 124.41 20.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.72 25.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.52 -35.29 75.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.295 . . . . 0.0 111.195 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.53 145.1 96.96 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.85 -28.87 50.65 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.746 1.631 . . . . 0.0 111.161 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.49 79.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.55 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.02 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.16 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.58 -42.4 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.38 -42.03 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.3 -41.53 96.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 96.4 m -58.59 -43.07 89.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.5 -37.71 87.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.51 -43.07 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.89 94.6 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.87 -39.26 90.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.63 68.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.06 -40.1 84.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.64 27.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 -26.2 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.22 -48.19 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.65 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.47 25.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 93.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 86.1 m -55.33 -55.76 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.06 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -45.56 86.99 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 85.3 mt -66.23 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 111.239 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.2 -41.9 93.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.88 -36.63 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.187 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.02 82.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.44 72.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.193 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.58 -49.66 72.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.79 -41.87 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.17 -40.9 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.88 -29.1 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.36 -19.85 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.706 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.55 124.35 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.252 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.93 -16.66 25.44 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.55 -35.27 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.1 97.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.86 -28.81 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.709 1.606 . . . . 0.0 111.198 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.48 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.61 68.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.225 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.31 -41.04 96.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.09 96.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.63 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.31 -47.38 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.53 91.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.67 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.36 96.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.57 -43.17 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.8 80.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.81 87.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.47 -43.15 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.75 94.78 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.91 -39.32 90.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.01 -40.22 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.83 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.26 -43.68 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.98 -48.75 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.63 -26.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -172.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.47 -41.95 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -39.4 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.48 26.11 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 111.219 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.28 -55.86 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.35 -41.08 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.6 86.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.8 94.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.62 -39.02 82.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.47 -34.54 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.31 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.5 -49.69 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 167.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.79 -41.89 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.87 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.85 -29.13 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.265 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -178.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.57 124.36 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.81 25.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.48 -35.26 75.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 111.161 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.51 145.12 97.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.84 -28.84 50.71 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.663 1.575 . . . . 0.0 111.278 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.53 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.66 68.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.47 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.08 96.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.23 -41.62 96.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.35 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.52 92.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.9 -35.74 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.55 -43.19 89.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -62.43 -37.8 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.53 -43.02 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.8 94.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.21 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.59 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.03 -40.16 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.81 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.22 -43.68 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.94 -48.88 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.6 -26.23 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.1 -48.21 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.64 -41.82 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.61 -39.41 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.44 26.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.55 92.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.774 0.321 . . . . 0.0 111.172 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 84.0 m -55.36 -55.84 26.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.06 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.67 86.0 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.57 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 111.244 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.72 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.96 -36.54 84.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.89 82.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 171.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.66 -34.39 71.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.61 -49.64 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 167.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.08 -40.97 82.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.12 39.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.89 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.582 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.661 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.769 0.319 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.58 124.4 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.211 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.93 -16.75 25.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.51 -35.26 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.48 145.16 97.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.88 -28.95 50.33 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.724 1.616 . . . . 0.0 111.165 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.45 80.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.61 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.208 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.12 96.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.04 96.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.32 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.6 91.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.81 -35.78 79.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.39 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.52 -43.2 89.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.28 -48.92 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.45 -37.77 87.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 -176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.49 -43.02 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.99 -43.88 94.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.76 -39.33 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.66 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.02 -40.12 84.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.89 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.08 -43.67 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.93 -48.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.14 -48.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.51 -41.85 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.64 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.4 26.38 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.53 92.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.182 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.35 -55.85 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.13 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.62 86.28 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.27 -39.56 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 111.18 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.33 -41.71 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.99 -36.61 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -39.09 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.47 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.52 -49.67 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.209 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.83 -41.91 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -57.95 -41.05 82.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.78 -29.22 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.24 -19.9 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.255 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -178.742 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.782 0.325 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.56 124.41 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.75 25.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.58 -35.2 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 111.24 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.52 145.14 97.0 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.93 -28.79 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.716 1.611 . . . . 0.0 111.159 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.46 79.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -72.29 -36.67 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.98 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.197 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.06 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.256 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -42.09 96.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.62 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.38 -47.24 84.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.59 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 84.5 p -67.89 -35.72 78.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.47 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.57 -43.2 89.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.81 80.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.87 87.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.41 -43.14 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.87 94.58 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.88 -39.27 90.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.2 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.59 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.12 -40.17 84.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.65 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.94 -48.87 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.29 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.16 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.62 -41.75 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.66 -39.46 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.44 26.16 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.53 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 86.3 m -55.36 -55.84 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.1 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.63 86.33 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.25 -39.56 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.79 94.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.07 82.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.25 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.22 93.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.56 -49.76 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.72 -41.84 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.249 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.04 -40.97 82.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.83 -29.21 40.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.89 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 -178.686 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.51 124.33 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.81 25.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.49 -35.21 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 111.298 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.53 145.13 96.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.96 -28.73 49.8 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.695 1.597 . . . . 0.0 111.191 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.43 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.68 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.03 96.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.55 -42.6 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.2 -42.1 96.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.24 -41.64 96.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.26 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.257 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.48 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.165 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.43 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.49 -43.19 88.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.41 -48.76 80.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.53 -37.73 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.58 -43.04 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.81 94.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.233 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.02 -40.16 84.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.83 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.74 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.86 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.65 -26.23 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -172.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.55 -41.79 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.78 -39.31 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.59 25.46 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.63 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.21 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -55.24 -55.83 26.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.08 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.228 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -39.52 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 111.184 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.39 -41.72 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.53 -39.06 82.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.47 72.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.08 93.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.6 -49.66 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.79 -41.9 71.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.03 -40.93 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.88 -29.18 39.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.24 -19.89 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.278 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -178.713 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.59 124.39 20.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.98 -16.75 25.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.43 145.09 97.07 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.9 -28.8 50.28 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.677 1.584 . . . . 0.0 111.221 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.43 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.53 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.11 99.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.11 98.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.28 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.49 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.225 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.35 -41.99 96.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.34 -41.57 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.44 -47.21 84.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.237 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.49 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.97 -35.7 78.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.41 96.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.68 -43.05 89.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.44 -48.79 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.265 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.43 -37.8 87.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.52 -43.04 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.89 94.58 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.34 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.63 68.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -58.96 -40.25 84.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.75 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.88 -48.83 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.28 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.65 -41.78 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.62 -39.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.81 -52.54 25.18 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.53 93.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.37 -55.76 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.215 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.51 86.96 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.34 -39.49 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.36 -41.74 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.92 -36.62 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.49 -39.02 82.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 171.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.56 72.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.25 93.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.48 -49.73 71.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 167.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.13 -40.91 82.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.207 -178.701 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.849 0.357 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.54 124.44 20.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.79 25.34 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.6 -35.25 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.0 111.118 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.45 145.16 97.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.87 -28.84 50.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.236 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.26 -36.59 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.2 98.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.23 -41.13 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.43 -42.58 92.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.2 -42.09 96.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.63 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.37 -47.29 84.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.55 91.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.41 96.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.57 -43.09 89.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.85 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.48 -37.76 87.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -176.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.48 -43.09 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.84 94.71 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.85 -39.29 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.65 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.274 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.82 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.19 -43.7 27.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.97 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -26.41 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.13 -48.23 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.62 -41.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.6 -39.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.46 25.87 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.57 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.3 -55.82 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.24 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.14 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.46 87.13 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.33 -39.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.193 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.75 94.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.173 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.61 -39.02 82.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.53 72.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.33 93.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.46 -49.71 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 167.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.82 -41.82 71.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.1 -40.9 82.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.91 -29.13 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.67 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.65 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.93 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.81 -8.23 56.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.729 0.3 . . . . 0.0 111.185 175.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.96 116.86 66.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.88 52.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.716 1.611 . . . . 0.0 111.17 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.16 87.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.19 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.86 91.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.95 93.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.56 97.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.53 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -61.89 -41.46 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD22 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -73.99 -31.15 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.39 -44.87 95.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.51 92.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.8 95.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.24 71.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.98 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.22 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.25 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.1 89.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.84 -35.08 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 111.171 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.22 -40.04 96.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.248 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.47 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.6 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG22 HD13 ' F' ' 39' ' ' ILE . 53.3 t -64.87 -44.43 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -173.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.94 -45.35 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.24 -48.04 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.224 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.89 -47.99 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.237 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' HA2' HD22 ' A' ' 14' ' ' LEU . . . -51.61 -48.68 49.02 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.09 75.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.35 65.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.61 -35.76 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.25 87.95 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.42 HD13 HG22 ' E' ' 29' ' ' VAL . 38.2 mm -66.99 -41.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.46 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 44.9 t80 -62.88 -39.13 93.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.41 79.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.24 -37.22 86.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 171.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.8 p -71.0 -23.24 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.222 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.82 11.16 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.4 4.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.201 -1.497 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.231 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.78 0.324 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.63 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.48 27.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.88 -8.25 56.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.832 0.348 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.92 116.8 66.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.19 -32.92 52.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.747 1.631 . . . . 0.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.1 -42.09 93.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.8 91.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.95 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.53 97.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.89 -36.62 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.34 97.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.475 HD22 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.94 -31.35 63.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.13 -44.96 94.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.83 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.71 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.243 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.24 71.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.43 -47.97 79.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.23 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.65 -42.33 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.12 89.66 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.87 -35.03 76.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.04 95.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.24 -40.07 96.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.38 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.97 -50.64 67.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.428 HG22 HD13 ' G' ' 39' ' ' ILE . 53.2 t -64.73 -44.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.06 -45.32 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.245 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.26 -48.01 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -48.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.475 ' HA2' HD22 ' B' ' 14' ' ' LEU . . . -51.64 -48.63 49.35 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.07 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.219 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.83 -52.44 65.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.14 88.67 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.426 HD13 HG22 ' W' ' 29' ' ' VAL . 38.4 mm -67.0 -41.39 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.4 97.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.59 84.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 44.7 t80 -62.73 -39.3 93.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 175.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.07 -35.36 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.206 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.15 86.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.39 75.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 171.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.36 -32.0 73.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.227 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.93 -23.29 62.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.84 11.13 38.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.85 34.43 4.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -177.462 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.66 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.62 26.97 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.82 -8.32 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.167 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.82 116.84 66.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.26 -32.92 52.88 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.716 1.611 . . . . 0.0 111.212 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.272 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.14 -42.16 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.86 91.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.9 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.58 97.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.45 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.03 -41.41 98.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . 0.498 HD22 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -73.99 -31.29 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.81 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.85 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.28 -48.25 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.247 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.02 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.22 79.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.67 -42.27 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 173.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.07 90.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.75 -35.2 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.55 72.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.0 -50.63 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.427 HG22 HD13 ' H' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.211 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.96 -45.33 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.25 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.3 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.8 -48.09 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.227 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.59 -39.42 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.268 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . 0.498 ' HA2' HD22 ' C' ' 14' ' ' LEU . . . -51.68 -48.62 49.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.2 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.206 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.83 -52.44 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.55 -35.76 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.14 88.19 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . 0.43 HD13 HG22 ' G' ' 29' ' ' VAL . 38.5 mm -67.04 -41.34 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.75 -41.37 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.6 84.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 44.8 t80 -62.76 -39.18 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.11 -35.33 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.21 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 23.6 t80 -55.24 -47.42 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 171.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.41 -31.96 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.99 -23.18 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.251 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.12 38.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.46 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -177.485 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.68 37.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.74 26.76 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -172.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.74 -8.26 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.233 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.83 66.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.233 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.29 -32.85 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.68 1.586 . . . . 0.0 111.207 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.24 87.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.26 94.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.91 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.293 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.51 97.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.51 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.84 -41.48 97.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . 0.494 HD22 ' HA2' ' I' ' 34' ' ' GLY . 93.7 mt -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.22 -44.92 94.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.248 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.49 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.71 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.36 -48.17 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -47.97 79.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.56 -35.24 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.66 -42.34 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.37 -44.09 89.82 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.8 -35.14 76.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.174 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.21 -40.06 96.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.4 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.251 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.62 67.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.433 HG22 HD13 ' I' ' 39' ' ' ILE . 53.4 t -64.79 -44.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -173.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.07 -45.37 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.21 -48.08 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.83 -48.01 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . 0.498 ' HA2' HD22 ' Y' ' 14' ' ' LEU . . . -51.69 -48.55 49.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.15 74.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.94 -52.27 65.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.16 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.72 -35.67 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.24 88.06 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . 0.431 HD13 HG22 ' Y' ' 29' ' ' VAL . 38.3 mm -67.01 -41.29 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 111.237 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.91 -41.31 97.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.54 84.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 44.7 t80 -62.79 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.29 -35.23 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.16 86.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 23.6 t80 -55.3 -47.36 75.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 171.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.48 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.04 -23.15 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.97 11.19 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.44 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 -177.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.43 128.7 37.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.66 27.01 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.24 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.212 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.84 66.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.25 -32.84 52.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.724 1.616 . . . . 0.0 111.221 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.07 -42.13 93.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.76 91.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.97 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.53 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.86 -36.61 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . 0.483 HD22 ' HA2' ' E' ' 34' ' ' GLY . 93.6 mt -73.94 -31.28 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.52 92.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.67 -46.71 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.81 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.21 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.34 -48.06 79.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.13 79.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.24 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.0 90.23 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.94 -35.02 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.162 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.07 95.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.23 -39.99 96.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.42 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.92 -50.62 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . 0.42 HG22 HD13 ' A' ' 39' ' ' ILE . 53.4 t -64.86 -44.33 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.43 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.17 -48.0 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.87 -48.07 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.62 -39.38 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' GLY . . . . . 0.486 ' HA2' HD22 ' V' ' 14' ' ' LEU . . . -51.68 -48.63 49.54 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.07 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.42 65.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -66.52 -35.79 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -43.27 87.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' ILE . . . . . 0.432 HD13 HG22 ' I' ' 29' ' ' VAL . 38.5 mm -66.89 -41.42 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.77 -41.31 97.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.22 -36.59 84.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 44.8 t80 -62.83 -39.1 93.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.33 79.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.25 86.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 23.6 t80 -55.28 -47.35 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.47 -31.87 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.01 -23.18 62.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.11 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.42 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.203 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -177.513 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 128.71 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -172.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.74 -8.28 56.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.226 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.88 116.87 66.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.24 -32.92 52.65 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.262 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.17 87.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.12 -42.12 94.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.85 91.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.04 93.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.6 96.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.236 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.43 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.06 -41.33 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . 0.483 HD22 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -73.93 -31.3 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.13 -45.02 94.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 172.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.69 -46.72 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.33 -48.31 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.33 -48.03 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.52 -35.24 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.7 -42.26 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.76 -35.06 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 111.252 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.31 -40.05 96.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.42 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.54 68.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' VAL . . . . . 0.424 HG22 HD13 ' B' ' 39' ' ' ILE . 53.3 t -64.82 -44.49 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.93 -45.36 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.206 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.28 -47.97 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.83 -48.07 88.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.67 -39.4 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' GLY . . . . . 0.483 ' HA2' HD22 ' F' ' 14' ' ' LEU . . . -51.65 -48.61 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.21 -46.02 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.34 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.64 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.25 88.02 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' ILE . . . . . 0.421 HD13 HG22 ' A' ' 29' ' ' VAL . 38.4 mm -67.0 -41.34 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.32 97.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.19 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 44.6 t80 -62.81 -39.14 93.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.274 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.22 -35.26 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.247 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 23.7 t80 -55.34 -47.34 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 171.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.48 -31.91 73.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -71.0 -23.22 62.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.09 38.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.41 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.269 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -177.483 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.62 37.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.63 26.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.8 -8.25 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 111.216 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.82 66.17 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.86 52.62 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.705 1.604 . . . . 0.0 111.225 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -47.17 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.14 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.8 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.55 97.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.251 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.59 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.83 -41.47 97.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . 0.487 HD22 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -73.96 -31.32 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.21 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.2 -44.88 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.49 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.63 -46.82 88.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.8 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.32 -48.24 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.11 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.45 -44.07 90.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -68.82 -35.14 76.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.01 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.247 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.28 -40.01 96.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.47 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.62 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' VAL . . . . . 0.43 HG22 HD13 ' C' ' 39' ' ' ILE . 53.4 t -64.84 -44.33 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 -173.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.04 -45.38 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.06 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.07 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.57 -39.45 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' X' ' 14' ' ' LEU . . . -51.66 -48.68 49.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.11 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.81 -52.42 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.24 88.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' ILE . . . . . 0.428 HD13 HG22 ' B' ' 29' ' ' VAL . 38.3 mm -66.92 -41.34 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.16 -36.55 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 44.9 t80 -62.8 -39.17 93.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.17 -35.29 79.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.14 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 23.4 t80 -55.35 -47.35 75.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 171.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.44 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.96 -23.21 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.9 11.19 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.4 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.189 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -177.527 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.43 128.69 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.71 26.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.79 -8.29 56.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 111.162 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.82 66.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.32 -32.81 53.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.626 1.551 . . . . 0.0 111.197 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.23 87.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.25 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.237 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.43 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.208 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . 0.499 HD22 ' HA2' ' H' ' 34' ' ' GLY . 93.9 mt -73.9 -31.31 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.258 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.26 -44.87 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 172.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.5 92.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.69 -46.8 88.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.72 95.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.233 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -54.38 -48.24 71.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.65 -35.14 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.64 -42.36 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.23 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -43.98 90.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.05 95.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.27 -39.98 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.207 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.45 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.05 -50.58 67.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' VAL . . . . . 0.418 HG22 HD13 ' D' ' 39' ' ' ILE . 53.2 t -64.78 -44.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -173.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.21 -47.98 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.1 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.48 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' GLY . . . . . 0.5 ' HA2' HD22 ' T' ' 14' ' ' LEU . . . -51.65 -48.63 49.38 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.1 75.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.218 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.28 65.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.276 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.68 -35.73 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.24 87.9 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' ILE . . . . . 0.427 HD13 HG22 ' C' ' 29' ' ' VAL . 38.5 mm -66.97 -41.34 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.173 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.89 -41.3 97.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.55 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 45.0 t80 -62.78 -39.15 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.27 -35.27 79.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.25 86.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.276 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 23.8 t80 -55.27 -47.32 75.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 171.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.87 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 59.9 p -71.0 -23.28 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.76 11.05 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.245 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.73 34.41 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -177.49 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.76 0.314 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.36 128.66 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.14 -19.63 27.09 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.27 56.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.21 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.84 116.84 66.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.33 -32.8 53.0 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.564 . . . . 0.0 111.209 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.22 87.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.0 -42.21 93.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.215 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.78 91.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.05 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.64 96.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.77 -36.56 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.91 -41.4 97.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.198 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.93 -31.32 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.85 94.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.59 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.6 -46.83 88.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.81 95.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.38 -48.15 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -48.06 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.64 -35.2 79.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.62 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.02 90.22 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.8 -35.16 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.13 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.16 -40.08 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.41 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.63 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' VAL . . . . . 0.432 HG22 HD13 ' E' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.96 -45.43 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.93 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.83 -48.04 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' GLY . . . . . 0.494 ' HA2' HD22 ' D' ' 14' ' ' LEU . . . -51.63 -48.63 49.25 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.17 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 111.22 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.84 -52.39 65.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.72 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.22 88.01 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' ILE . . . . . 0.433 HD13 HG22 ' D' ' 29' ' ' VAL . 38.3 mm -67.0 -41.32 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.205 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.23 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.61 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 44.9 t80 -62.77 -39.15 93.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.21 -35.31 79.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.17 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 23.4 t80 -55.3 -47.33 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 171.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.46 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.96 -23.17 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.87 11.12 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.79 34.36 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -177.454 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.861 0.362 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.69 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.17 -19.63 27.03 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.83 -8.19 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.92 116.82 66.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.29 -32.84 52.87 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.663 1.576 . . . . 0.0 111.153 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.15 87.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.84 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.02 93.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.54 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.84 -36.56 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.181 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.38 97.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' LEU . . . . . 0.489 HD22 ' HA2' ' X' ' 34' ' ' GLY . 93.5 mt -74.01 -31.32 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.21 -44.91 94.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.51 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.252 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.69 -46.83 88.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.83 95.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.42 -48.16 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.47 -48.05 79.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.5 -35.19 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.8 -42.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.42 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.231 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.28 -40.0 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.92 -43.37 73.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.64 67.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' VAL . . . . . 0.426 HG22 HD13 ' O' ' 39' ' ' ILE . 53.2 t -64.86 -44.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -173.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.1 -45.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.29 -48.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.58 -39.52 82.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.61 -48.62 49.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.06 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.95 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.198 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -43.22 88.31 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.0 -41.41 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.188 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.27 97.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.213 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.27 -36.45 84.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 44.8 t80 -62.84 -39.11 93.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.3 -35.23 79.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.16 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.265 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.31 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -71.06 -23.13 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.9 11.14 38.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.77 34.39 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -177.45 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.76 0.315 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.6 37.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.71 26.63 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.72 -8.32 56.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.78 65.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.84 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.688 1.592 . . . . 0.0 111.208 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.14 -42.11 94.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.97 93.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.46 97.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.96 -36.51 72.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.41 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 14' ' ' LEU . . . . . 0.499 HD22 ' HA2' ' T' ' 34' ' ' GLY . 93.5 mt -74.0 -31.22 62.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.31 -44.86 95.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 172.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.61 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.56 -46.82 88.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.75 95.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.36 -48.19 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.238 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.06 79.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.57 -35.22 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -175.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.71 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.16 89.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.79 -35.09 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.201 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.02 96.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.44 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.59 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 29' ' ' VAL . . . . . 0.426 HG22 HD13 ' P' ' 39' ' ' ILE . 53.3 t -64.89 -44.37 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -173.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.41 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.01 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.88 -47.95 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.237 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.62 49.86 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.11 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.221 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.241 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.54 -35.71 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.26 88.17 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.92 -41.39 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.239 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.41 97.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.16 -36.51 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 44.9 t80 -62.78 -39.2 93.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.267 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.07 -35.37 79.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.17 86.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.32 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 171.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.44 -31.97 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -70.97 -23.24 62.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.84 11.18 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.22 174.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.36 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -177.432 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.67 37.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.65 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.76 -8.25 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.95 116.86 66.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.31 -32.81 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.727 1.618 . . . . 0.0 111.208 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.26 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.22 93.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.86 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.98 93.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -60.64 -43.54 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.62 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.44 97.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.232 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 14' ' ' LEU . . . . . 0.491 HD22 ' HA2' ' U' ' 34' ' ' GLY . 93.6 mt -73.97 -31.26 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.28 -44.85 94.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.53 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.7 -46.78 89.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.207 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.3 -48.25 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.04 79.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.63 -35.18 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.76 -42.2 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.39 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.26 -40.01 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.44 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.57 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' VAL . . . . . 0.434 HG22 HD13 ' Q' ' 39' ' ' ILE . 53.4 t -64.93 -44.29 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -173.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.02 -45.34 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.233 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.94 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.267 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.91 -47.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.267 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.69 -39.39 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.11 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.234 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.85 -52.36 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.34 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.03 -41.26 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.232 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.15 -36.53 84.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 44.9 t80 -62.85 -39.18 93.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.189 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.35 79.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.23 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 23.8 t80 -55.35 -47.25 76.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.54 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -23.18 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.99 11.33 37.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.86 34.3 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -177.444 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.66 37.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -19.67 26.93 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.83 -8.21 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 111.228 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.81 66.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -32.82 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.657 1.572 . . . . 0.0 111.227 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.21 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.241 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.86 91.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.96 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.85 -36.52 72.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.232 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.41 97.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 14' ' ' LEU . . . . . 0.488 HD22 ' HA2' ' V' ' 34' ' ' GLY . 93.7 mt -74.0 -31.29 62.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.9 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.53 92.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.69 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.34 -48.17 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.264 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.01 79.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.12 79.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.76 -42.24 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 173.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -43.99 90.4 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.86 -35.13 76.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.29 -39.96 96.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.45 73.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.64 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 29' ' ' VAL . . . . . 0.419 HG22 HD13 ' R' ' 39' ' ' ILE . 53.5 t -64.91 -44.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -173.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.04 -45.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.192 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.3 -47.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.96 -48.05 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.63 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.75 -48.51 50.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.09 75.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.225 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 99.7 m -56.9 -52.32 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.66 -35.74 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.26 87.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.92 -41.36 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.276 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.23 -36.5 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.2 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.27 79.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.13 86.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 23.5 t80 -55.34 -47.35 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.47 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -70.99 -23.21 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 175.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.27 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.32 5.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 -177.502 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.768 0.318 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.67 37.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.74 -8.41 56.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.84 116.88 66.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.25 -32.95 52.96 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.732 1.621 . . . . 0.0 111.148 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.13 -42.07 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.79 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.94 92.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.57 97.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.85 -36.59 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.89 -41.42 97.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 14' ' ' LEU . . . . . 0.481 HD22 ' HA2' ' W' ' 34' ' ' GLY . 93.6 mt -73.95 -31.39 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.98 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.61 92.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.83 88.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.82 95.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.36 -48.25 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.37 -48.04 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.23 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -43.96 90.52 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.19 -40.03 96.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.96 -50.67 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 29' ' ' VAL . . . . . 0.428 HG22 HD13 ' S' ' 39' ' ' ILE . 53.3 t -64.79 -44.38 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -173.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.28 -48.0 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.86 -48.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.53 -39.57 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.17 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.81 -52.34 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.7 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.96 -41.39 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.323 . . . . 0.0 111.155 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.21 -36.52 84.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.273 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 44.7 t80 -62.74 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.221 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.2 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.45 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 23.7 t80 -55.33 -47.37 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 171.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.46 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 175.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.9 11.27 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.93 34.48 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -177.479 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.804 0.335 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.66 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.61 26.95 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -172.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.23 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 111.224 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.9 116.84 66.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.22 -32.96 52.69 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.713 1.609 . . . . 0.0 111.138 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.12 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.2 -42.11 94.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.77 91.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.251 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.06 93.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.5 97.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.255 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.98 -36.48 72.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.188 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.0 -41.32 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 14' ' ' LEU . . . . . 0.498 HD22 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -74.09 -31.22 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.26 -44.89 94.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.71 -46.73 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -44.79 95.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.46 -48.15 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.61 -35.23 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.69 -42.21 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.37 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.07 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.19 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.99 95.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.245 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.29 -39.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.66 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 29' ' ' VAL . . . . . 0.422 HG22 HD13 ' T' ' 39' ' ' ILE . 53.1 t -64.76 -44.45 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.02 -45.31 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.25 -47.99 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -48.02 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.64 -48.59 49.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.11 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.89 -52.3 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.67 -35.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.14 -43.17 88.76 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 39' ' ' ILE . . . . . 0.426 HD13 HG22 ' J' ' 29' ' ' VAL . 38.3 mm -66.99 -41.35 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.193 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.29 97.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.2 -36.5 84.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.24 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.05 -35.43 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 23.6 t80 -55.34 -47.31 75.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 171.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.42 -31.96 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -70.93 -23.25 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.88 11.22 38.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.38 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -177.368 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.35 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.71 38.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.247 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.14 -19.64 27.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.71 -8.35 56.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.851 0.357 . . . . 0.0 111.217 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.88 116.84 66.3 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.21 -32.96 52.55 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.683 1.589 . . . . 0.0 111.241 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.21 87.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.08 -42.2 94.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.84 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.93 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.53 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.84 -36.55 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.03 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' LEU . . . . . 0.496 HD22 ' HA2' ' Y' ' 34' ' ' GLY . 93.5 mt -73.98 -31.34 62.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.24 -44.87 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.39 -48.17 71.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.06 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.22 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.24 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.14 89.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.79 -35.1 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.09 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.207 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.28 -40.01 96.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.03 -50.56 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' VAL . . . . . 0.433 HG22 HD13 ' U' ' 39' ' ' ILE . 53.2 t -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.245 -173.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.04 -45.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.21 -48.08 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.85 -48.0 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.67 -39.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.65 49.41 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.23 88.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' ILE . . . . . 0.426 HD13 HG22 ' K' ' 29' ' ' VAL . 38.5 mm -66.93 -41.39 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.31 97.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.39 -36.39 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 44.7 t80 -62.83 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -35.37 79.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.19 86.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.41 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 171.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.39 -31.92 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.29 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.84 11.25 37.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 174.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.86 34.41 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 -177.516 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.4 128.7 37.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.13 -19.62 27.14 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.82 -8.2 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.83 66.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.29 -32.88 53.05 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.677 1.585 . . . . 0.0 111.154 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.0 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.6 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.8 -36.55 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.215 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 14' ' ' LEU . . . . . 0.481 HD22 ' HA2' ' Z' ' 34' ' ' GLY . 93.7 mt -73.97 -31.26 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.87 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.46 91.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.62 -46.85 88.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.83 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.44 -48.13 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.52 -47.94 79.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.6 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -175.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.05 90.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.06 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.143 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.97 95.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.238 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.07 96.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.43 73.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.187 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.96 -50.61 67.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 29' ' ' VAL . . . . . 0.428 HG22 HD13 ' V' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.31 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -48.01 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.83 -48.06 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.52 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.53 50.02 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.12 74.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.753 0.311 . . . . 0.0 111.156 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.34 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.81 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.2 88.04 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 39' ' ' ILE . . . . . 0.434 HD13 HG22 ' L' ' 29' ' ' VAL . 38.3 mm -67.0 -41.33 87.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.25 -36.48 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 45.0 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.16 -35.35 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.11 86.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 24.0 t80 -55.33 -47.33 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 171.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.47 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.253 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.24 62.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.281 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.88 34.4 4.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -177.472 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.36 128.66 37.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.72 26.83 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.79 -8.22 56.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.242 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.85 116.8 66.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.19 -32.86 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.661 1.574 . . . . 0.0 111.309 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.24 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.84 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.96 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.55 96.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.48 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -61.98 -41.36 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 14' ' ' LEU . . . . . 0.488 HD22 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -74.01 -31.33 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.17 -45.0 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.77 95.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.204 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.16 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.64 -42.26 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.96 90.73 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.88 -35.16 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.15 94.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -63.32 -39.96 96.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.38 73.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.55 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 29' ' ' VAL . . . . . 0.425 HG22 HD13 ' W' ' 39' ' ' ILE . 53.4 t -64.8 -44.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -45.37 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.08 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.6 -39.56 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.58 -48.55 49.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.88 -52.34 65.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.66 -35.76 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.91 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 39' ' ' ILE . . . . . 0.419 HD13 HG22 ' M' ' 29' ' ' VAL . 38.4 mm -66.87 -41.39 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.9 -41.23 97.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.53 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.37 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 24.1 t80 -55.19 -47.46 75.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 171.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.43 -31.9 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.86 11.26 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.33 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -177.422 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.31 128.63 37.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.66 27.04 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.73 -8.28 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.242 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.86 116.75 65.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.11 -32.88 51.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.629 1.552 . . . . 0.0 111.292 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.22 87.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.02 -42.13 93.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.263 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.84 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.89 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.64 -43.48 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.221 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.9 -36.51 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.49 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . 0.473 HD22 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.97 -31.32 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.9 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.65 92.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.64 -46.82 88.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.69 95.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.49 -48.03 79.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.19 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.78 -42.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.98 90.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.88 -35.09 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.04 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.2 -40.04 96.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.4 73.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' VAL . . . . . 0.429 HG22 HD13 ' X' ' 39' ' ' ILE . 53.4 t -64.81 -44.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.05 -45.28 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.33 -47.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.91 -48.03 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.47 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.19 -46.11 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.82 -52.38 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.62 -35.67 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.13 88.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' ILE . . . . . 0.428 HD13 HG22 ' N' ' 29' ' ' VAL . 38.5 mm -66.96 -41.34 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.808 0.337 . . . . 0.0 111.267 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.28 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 44.8 t80 -62.72 -39.21 93.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.228 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.35 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.209 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.38 -37.09 86.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 23.8 t80 -55.42 -47.29 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.5 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.9 -23.33 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.87 11.24 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.38 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.249 -177.508 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.3 128.64 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.13 -19.61 27.14 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -172.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.76 -8.26 56.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 111.282 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.83 66.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.3 -32.84 52.93 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.71 1.606 . . . . 0.0 111.169 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.25 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.9 91.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.95 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.219 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.5 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.59 72.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.87 -41.48 97.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 14' ' ' LEU . . . . . 0.5 HD22 ' HA2' ' H' ' 34' ' ' GLY . 93.6 mt -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.51 91.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.59 -46.85 88.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.82 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.33 -48.19 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.47 -48.08 79.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.18 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.19 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -44.04 90.52 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -68.78 -35.13 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 111.265 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.01 95.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -40.03 96.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.75 -43.43 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.63 67.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 29' ' ' VAL . . . . . 0.423 HG22 HD13 ' Y' ' 39' ' ' ILE . 53.4 t -64.78 -44.44 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.0 -45.34 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.22 -48.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.76 -48.08 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.282 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.51 -39.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.499 ' HA2' HD22 ' K' ' 14' ' ' LEU . . . -51.64 -48.61 49.35 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.0 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.277 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.93 -52.32 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.21 88.03 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 39' ' ' ILE . . . . . 0.422 HD13 HG22 ' O' ' 29' ' ' VAL . 38.2 mm -67.03 -41.32 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.34 97.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.22 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 45.0 t80 -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.4 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 23.4 t80 -55.26 -47.44 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 171.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.43 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p -70.98 -23.32 62.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.2 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.43 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -177.462 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.792 0.33 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.41 128.63 37.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.25 -19.66 26.79 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.25 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 0.0 111.182 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.87 116.85 66.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.25 -32.93 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.719 1.613 . . . . 0.0 111.126 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.19 87.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.2 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.81 91.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.04 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.41 97.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.58 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.85 -41.49 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 14' ' ' LEU . . . . . 0.492 HD22 ' HA2' ' D' ' 34' ' ' GLY . 93.6 mt -73.97 -31.23 62.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.88 95.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 172.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.41 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.266 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.7 -46.83 88.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.43 -48.16 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.07 79.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.63 -35.22 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.209 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.09 90.04 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.83 -35.13 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.179 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.97 95.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.22 -40.06 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.63 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 29' ' ' VAL . . . . . 0.434 HG22 HD13 ' Z' ' 39' ' ' ILE . 53.3 t -64.78 -44.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -173.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.95 -45.38 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.216 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.24 -48.0 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -47.98 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.72 -39.36 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 34' ' ' GLY . . . . . 0.491 ' HA2' HD22 ' L' ' 14' ' ' LEU . . . -51.69 -48.62 49.68 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.08 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.211 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.4 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.06 88.61 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 39' ' ' ILE . . . . . 0.433 HD13 HG22 ' P' ' 29' ' ' VAL . 38.2 mm -67.06 -41.32 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.17 -36.53 84.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 44.9 t80 -62.94 -39.03 93.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.241 175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.16 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 23.8 t80 -55.3 -47.33 75.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -65.51 -31.85 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p -71.02 -23.19 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.11 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.83 34.48 4.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -177.505 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.763 0.316 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.68 37.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.28 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.147 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.86 116.79 66.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.223 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.22 -32.86 52.24 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.652 1.568 . . . . 0.0 111.246 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.11 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.16 -42.06 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.9 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.97 93.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.57 97.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.4 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 14' ' ' LEU . . . . . 0.486 HD22 ' HA2' ' E' ' 34' ' ' GLY . 93.7 mt -74.0 -31.3 62.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.86 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.261 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.87 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.34 -48.2 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.05 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.15 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.69 -42.22 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.244 173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.06 90.33 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.77 -35.16 76.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.05 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -39.91 95.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.36 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.72 67.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 29' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.02 -45.32 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.79 -48.08 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 34' ' ' GLY . . . . . 0.488 ' HA2' HD22 ' M' ' 14' ' ' LEU . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.33 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.58 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.15 -43.13 88.81 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 39' ' ' ILE . . . . . 0.428 HD13 HG22 ' Q' ' 29' ' ' VAL . 38.3 mm -67.01 -41.35 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.188 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 45.1 t80 -62.85 -39.15 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 175.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.44 79.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.25 -37.2 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 175.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 23.4 t80 -55.39 -47.3 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.45 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.24 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.98 -23.13 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.19 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.38 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 -177.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.825 0.345 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.69 37.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.7 26.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.78 -8.23 56.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.2 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.77 65.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.255 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.16 -32.85 51.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.632 1.555 . . . . 0.0 111.283 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.13 -42.08 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.87 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.03 93.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.55 -43.54 97.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.51 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.87 -41.45 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 14' ' ' LEU . . . . . 0.482 HD22 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -74.03 -31.25 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.88 95.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.68 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.68 95.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.54 -48.14 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.06 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.71 -42.29 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.46 -44.04 90.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.82 -35.1 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.0 95.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.218 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -40.01 96.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.54 73.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.58 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 29' ' ' VAL . . . . . 0.426 HG22 HD13 ' B' ' 39' ' ' ILE . 53.5 t -64.89 -44.35 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -173.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.31 -47.99 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.88 -48.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.57 -39.51 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 34' ' ' GLY . . . . . 0.481 ' HA2' HD22 ' N' ' 14' ' ' LEU . . . -51.72 -48.56 49.98 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.1 75.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.217 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.92 -52.34 65.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.67 -35.66 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.19 88.25 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 39' ' ' ILE . . . . . 0.425 HD13 HG22 ' R' ' 29' ' ' VAL . 38.3 mm -66.96 -41.42 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 111.211 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.21 97.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.252 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.56 84.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 42' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 44.7 t80 -62.75 -39.24 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.32 79.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.266 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.09 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 45' ' ' PHE . . . . . 0.422 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.37 75.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 62.8 p -65.4 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.92 -23.24 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.89 11.22 38.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.49 4.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 -177.398 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.65 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.92 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.82 -8.21 56.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.19 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.88 116.8 66.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.28 -32.88 52.91 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.698 1.599 . . . . 0.0 111.152 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.3 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.77 91.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.02 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.53 -43.58 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.9 -36.47 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.02 -41.34 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.489 HD22 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -74.06 -31.22 62.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.28 -44.85 94.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.51 91.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.85 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.31 -48.24 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.26 79.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.1 90.18 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.74 -35.16 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.179 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.01 96.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.246 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.75 67.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . 0.429 HG22 HD13 ' C' ' 39' ' ' ILE . 53.3 t -64.74 -44.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.0 -45.3 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.267 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -48.12 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.7 -39.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 34' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' J' ' 14' ' ' LEU . . . -51.75 -48.58 50.15 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.19 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 99.9 m -56.97 -52.3 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.66 -35.68 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.12 88.63 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 39' ' ' ILE . . . . . 0.429 HD13 HG22 ' S' ' 29' ' ' VAL . 38.4 mm -66.98 -41.36 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 111.197 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.4 97.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -36.5 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 45.0 t80 -62.8 -39.14 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.218 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.32 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.16 86.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 23.8 t80 -55.34 -47.35 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.38 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p -70.98 -23.15 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.89 11.2 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.39 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 -177.417 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.37 128.66 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.63 27.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -172.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.85 -8.28 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.78 116.83 66.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.32 -32.89 53.35 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.7 1.6 . . . . 0.0 111.16 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.21 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.19 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.53 97.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.56 72.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.89 -41.41 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 14' ' ' LEU . . . . . 0.498 HD22 ' HA2' ' D' ' 34' ' ' GLY . 93.5 mt -74.08 -31.17 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.99 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.58 92.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.85 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.74 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.43 -48.14 72.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.13 79.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.67 -42.29 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.05 90.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.73 -35.19 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 111.235 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.03 95.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.06 96.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.39 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.58 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 29' ' ' VAL . . . . . 0.431 HG22 HD13 ' D' ' 39' ' ' ILE . 53.3 t -64.82 -44.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -173.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.99 -45.26 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.35 -47.95 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -48.04 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.67 -39.46 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 34' ' ' GLY . . . . . 0.496 ' HA2' HD22 ' P' ' 14' ' ' LEU . . . -51.63 -48.64 49.23 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.87 -52.35 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.6 -35.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -43.28 87.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 39' ' ' ILE . . . . . 0.423 HD13 HG22 ' T' ' 29' ' ' VAL . 38.7 mm -66.92 -41.41 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.176 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.26 97.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.25 -36.47 84.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 42' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 44.9 t80 -62.89 -39.12 93.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.29 79.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.22 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 45' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 23.7 t80 -55.23 -47.35 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.264 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.38 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.216 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -71.06 -23.21 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.79 11.12 38.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.38 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -177.467 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.65 37.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.27 -19.75 26.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.7 -8.28 56.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.95 116.86 66.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.87 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.664 1.576 . . . . 0.0 111.18 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.08 -42.14 93.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.75 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.6 97.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -41.44 97.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 14' ' ' LEU . . . . . 0.481 HD22 ' HA2' ' I' ' 34' ' ' GLY . 93.6 mt -73.95 -31.19 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.97 94.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.55 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.59 -46.86 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.72 95.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.48 -48.13 72.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.24 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.71 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.35 -44.14 89.76 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.81 -35.07 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.03 95.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.33 -40.01 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.42 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.6 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 29' ' ' VAL . . . . . 0.429 HG22 HD13 ' E' ' 39' ' ' ILE . 53.4 t -64.84 -44.37 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 -173.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.91 -45.45 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.21 -47.96 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.261 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -48.06 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 34' ' ' GLY . . . . . 0.481 ' HA2' HD22 ' Q' ' 14' ' ' LEU . . . -51.69 -48.57 49.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.24 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.91 -52.32 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.22 88.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 39' ' ' ILE . . . . . 0.434 HD13 HG22 ' U' ' 29' ' ' VAL . 38.4 mm -66.96 -41.37 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 42' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.32 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.18 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 45' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 23.9 t80 -55.27 -47.4 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 171.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -65.4 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.247 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.97 -23.31 62.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.79 11.13 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.79 34.4 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.201 -1.492 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -177.469 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.759 0.314 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.27 128.61 37.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.58 27.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.25 56.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.84 66.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.3 -32.87 53.05 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.674 1.583 . . . . 0.0 111.186 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.31 87.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.218 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.17 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.87 91.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.94 93.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.54 97.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.93 -36.53 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.85 -41.45 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.04 -31.28 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.52 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.25 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.41 -48.18 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.17 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.72 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.03 90.34 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.79 -35.11 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.224 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.01 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -39.93 95.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.44 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.77 -44.38 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.0 -45.39 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -47.97 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.85 -48.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.62 -39.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -48.56 50.42 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.88 -52.29 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -43.2 88.5 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 38.2 mm -66.96 -41.33 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.698 0.285 . . . . 0.0 111.155 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.28 97.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.84 -39.25 93.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.34 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.3 -37.19 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.32 -47.31 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.41 -31.99 73.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p -70.94 -23.26 62.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.86 11.22 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.91 34.37 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -177.432 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.7 37.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.232 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.69 26.87 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.73 -8.27 56.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.97 116.88 66.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.31 -32.81 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.68 1.587 . . . . 0.0 111.197 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.14 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.06 -42.15 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.81 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.47 -43.55 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.284 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.91 -36.49 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.95 -41.42 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.95 -31.36 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.21 -44.91 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.83 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.73 95.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.4 -48.17 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -48.1 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.17 79.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.78 -42.18 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.57 -43.95 90.88 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.26 -39.99 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.44 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.66 67.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.82 -44.37 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.94 -45.4 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.21 -48.04 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 -177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.57 -39.49 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.73 -48.56 50.03 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.14 75.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.38 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.15 88.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.96 -41.37 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.202 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.92 -41.25 97.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.22 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.67 -39.28 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.223 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.29 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.211 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.16 86.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -47.26 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 171.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.52 -32.0 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.114 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.93 -23.18 62.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.23 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -177.408 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.28 128.66 37.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.63 27.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.8 -8.27 56.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.85 116.89 66.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.97 53.05 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.18 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.02 -42.23 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.22 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.92 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.64 97.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.81 -36.54 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.233 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.88 -41.4 97.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.241 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.38 62.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.94 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.48 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.6 -46.9 88.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.87 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.3 -48.23 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.1 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.66 -35.12 79.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.66 -42.25 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.03 90.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -34.98 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.0 95.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.51 72.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.59 67.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.84 -44.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.03 -45.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.18 -48.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.94 -47.95 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.64 -39.48 82.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.69 -48.56 49.83 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.09 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 111.151 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.96 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.37 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.11 -41.23 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 111.171 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.33 97.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.253 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.17 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.75 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.245 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.36 79.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.32 -47.34 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.54 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.02 -23.26 62.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.21 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.92 34.46 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 -177.489 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.83 0.348 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.54 37.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.75 26.58 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.75 -8.23 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.83 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.85 52.43 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.744 1.629 . . . . 0.0 111.24 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.25 87.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.15 94.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.51 -43.57 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.82 -36.56 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.45 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.98 -31.32 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.9 94.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.176 172.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.59 92.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.58 -46.83 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.81 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.36 -48.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.272 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.96 79.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.27 79.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -175.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.63 -42.19 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.254 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.02 90.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.23 -40.08 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.55 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.6 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.8 -44.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.09 -45.29 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.81 -48.04 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.63 -48.61 49.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.13 75.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.329 . . . . 0.0 111.152 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 99.1 m -56.91 -52.35 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.206 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.18 88.4 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.08 -41.35 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.13 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.32 97.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.209 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.25 -36.49 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.13 -35.29 79.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.42 -37.12 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.26 -47.38 75.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.48 -31.85 73.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.172 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.06 -23.17 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.88 11.21 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.42 4.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.27 128.66 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -19.65 26.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.86 -8.25 56.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.169 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -83.0 116.81 66.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.89 52.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.712 1.608 . . . . 0.0 111.145 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.86 91.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.95 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.54 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.47 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.29 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.19 -44.92 94.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.24 172.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.5 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.67 -46.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.85 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.35 -48.24 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.42 -48.02 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.23 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.6 -42.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.42 -44.06 90.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.84 -35.14 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.165 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.03 95.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.0 96.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.08 -50.55 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -44.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.34 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.235 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.28 -47.99 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.88 -48.0 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.265 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.58 -39.48 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -48.6 50.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.06 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.285 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.57 -35.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.21 88.32 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.99 -41.28 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.26 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.53 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.82 -39.17 93.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.35 79.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.42 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.188 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -71.01 -23.2 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.93 11.21 38.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.88 34.41 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 -177.5 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.44 128.68 37.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.72 26.84 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.69 -8.37 56.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 111.268 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.76 116.84 66.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.26 -32.92 52.92 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 121.683 1.589 . . . . 0.0 111.173 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.1 93.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.296 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.88 91.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.46 -43.62 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.253 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.4 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.0 -31.32 62.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.17 -44.95 94.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.6 -46.85 88.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.73 95.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.99 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.77 -42.2 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.92 90.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -35.1 76.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.107 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.09 95.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.178 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.15 -40.05 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.255 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.48 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.04 -50.59 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.89 -44.28 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -173.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.42 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.97 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.9 -47.95 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.5 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.19 75.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.169 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.87 -52.39 65.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.6 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.14 88.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.4 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.13 -36.53 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.84 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.39 79.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.15 86.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.37 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.46 -31.92 73.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.96 11.14 38.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.76 34.35 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.25 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -177.425 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.752 0.31 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.37 128.61 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.69 26.83 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -172.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.77 -8.27 56.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.239 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.83 66.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.23 -32.93 52.67 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.745 1.63 . . . . 0.0 111.201 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.15 87.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.09 -42.13 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.75 91.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.06 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.58 96.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.88 -36.48 72.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.95 -41.39 97.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.24 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.91 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.82 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 94.1 m -54.32 -48.23 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.262 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -47.99 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.264 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.71 -35.12 79.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.8 -42.17 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.11 89.93 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.07 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.01 95.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.23 -40.08 96.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.45 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.61 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.79 -44.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.9 -45.45 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.22 -48.03 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -47.98 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.24 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.57 -39.47 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.91 -52.37 65.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.68 -35.69 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.2 88.2 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.01 -41.42 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 111.143 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.21 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.36 -36.47 84.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.81 -39.21 93.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.34 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.24 86.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.26 -47.45 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.2 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.94 -23.26 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.24 38.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.92 34.44 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.62 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -172.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.83 -8.22 56.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.195 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.89 116.86 66.38 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.25 -32.9 52.73 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.694 1.596 . . . . 0.0 111.189 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.22 87.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.19 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.17 -42.08 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.82 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.6 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.88 -41.45 97.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.94 -31.25 62.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.9 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.19 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.82 88.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.85 95.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.226 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.37 -48.14 71.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.268 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.05 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.3 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.64 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.01 90.33 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.81 -35.17 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.14 94.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -39.99 96.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.1 -50.52 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.86 -44.34 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.32 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.32 -48.01 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.88 -48.03 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.55 -39.49 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.7 -48.55 49.92 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.15 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.91 -52.32 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.72 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.18 88.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.12 -41.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.704 0.288 . . . . 0.0 111.075 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.163 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.16 -36.59 84.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.84 -39.1 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 175.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 62.2 p -65.49 -31.82 73.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.204 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -71.05 -23.21 62.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.14 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.47 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.302 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.42 128.72 38.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.184 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.17 -19.67 26.98 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -172.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.22 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.83 66.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.26 -32.82 52.43 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.66 1.574 . . . . 0.0 111.271 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -47.13 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.2 -42.08 94.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.82 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.52 97.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.94 -36.51 72.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.24 -44.92 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 172.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.57 92.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.89 88.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.77 95.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.38 -48.24 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.46 -48.08 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.54 -35.21 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.7 -42.23 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.234 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.36 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.89 -35.05 76.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.08 94.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.247 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.04 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.53 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.194 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.6 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.82 -44.4 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.224 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.99 -45.39 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.0 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.83 -48.16 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.53 -39.45 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.6 49.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.1 75.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.234 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.24 88.05 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.36 87.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.33 97.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.48 84.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.92 -39.09 93.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.35 -47.36 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.46 -31.89 73.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -23.19 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.08 38.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.85 34.37 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.199 -177.511 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.824 0.345 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.21 -31.51 55.87 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.691 1.594 . . . . 0.0 111.151 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.76 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.41 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.263 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.08 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.27 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.41 -38.1 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.33 -41.17 98.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.55 -33.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.41 97.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.38 90.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.48 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -55.59 -45.17 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.52 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.43 -43.77 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 168.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.13 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.84 -45.03 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.72 -49.47 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.84 -28.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' R' ' 10' ' ' ALA . 22.4 t -64.74 -43.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.33 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.2 -51.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -65.0 -42.35 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.01 8.6 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.01 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.223 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.98 -54.11 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -48.08 75.03 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.57 -41.19 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.59 76.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -36.07 83.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 53.1 t80 -64.99 -36.98 86.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 3.6 t80 -56.48 -50.01 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 172.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -64.91 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 172.654 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.875 0.369 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.29 -31.46 56.59 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.752 1.635 . . . . 0.0 111.188 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.66 81.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.44 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.3 -45.36 88.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.99 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.11 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -62.35 -41.2 98.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.51 -33.23 70.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.41 90.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.77 -48.42 81.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.24 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.71 -48.05 82.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.54 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.32 -43.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.6 82.96 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.56 -43.01 95.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.228 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.16 89.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TRP . . . . . 0.401 ' O ' HG23 ' B' ' 30' ' ' VAL . 23.7 m95 -67.91 -45.01 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.82 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.266 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.48 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.241 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' B' ' 10' ' ' ALA . 22.4 t -64.72 -43.43 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.52 -43.9 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -51.74 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.236 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.04 -42.37 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.06 8.44 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.95 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.294 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.0 -54.14 49.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.47 -32.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.14 75.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.4 -41.25 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.251 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.01 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 53.2 t80 -64.94 -37.01 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.91 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.285 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.208 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 3.7 t80 -56.48 -50.04 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 73.7 p -64.8 -29.73 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.21 -31.51 55.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.69 1.593 . . . . 0.0 111.207 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.67 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.37 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.93 96.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.214 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.39 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.09 -50.84 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.32 -38.17 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.33 -41.14 98.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.22 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.155 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.51 97.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.08 -44.03 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.57 -45.17 77.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.224 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.37 -43.87 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 168.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.6 -41.57 82.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.61 -43.0 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.76 -45.15 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.63 -49.46 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.75 -43.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.3 -51.73 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.98 -42.38 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.99 8.7 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.05 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.07 -54.06 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.69 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -47.99 76.96 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.6 76.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.36 -35.89 82.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 53.3 t80 -65.0 -37.01 86.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.19 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.79 -35.86 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 3.6 t80 -56.63 -49.95 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.2 p -64.87 -29.64 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 172.641 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.22 -31.53 56.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.713 1.609 . . . . 0.0 111.131 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.68 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.204 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.4 79.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.08 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.28 -45.32 88.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.14 -50.75 72.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.29 -41.17 98.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.52 -33.29 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.48 97.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.39 90.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.98 -44.12 97.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.46 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.55 -48.15 81.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.55 60.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.31 -43.9 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 168.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.49 82.53 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.62 -43.07 94.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 111.158 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.22 89.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.82 -45.04 75.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -43.9 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.59 -49.59 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.82 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' U' ' 10' ' ' ALA . 22.9 t -64.64 -43.48 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.278 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.37 -44.01 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -51.73 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.07 -42.31 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.43 -57.03 8.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -60.01 -54.06 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.238 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.66 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.1 75.46 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.52 -41.09 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.267 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.68 -43.58 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.26 -36.01 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.211 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 53.5 t80 -64.92 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.9 82.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.97 76.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 3.7 t80 -56.51 -50.06 72.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.207 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -64.83 -29.81 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.129 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 172.755 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -31.59 55.19 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.824 1.683 . . . . 0.0 111.256 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.74 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.229 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.35 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.26 -45.29 88.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.17 -50.8 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.22 86.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.185 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.28 -41.17 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.58 -33.2 70.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.09 -41.5 97.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.41 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.02 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.45 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.56 -45.18 77.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.57 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.3 -43.89 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 168.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.5 82.57 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.07 94.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.95 -45.02 75.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.02 76.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.6 62.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.89 -28.75 34.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.273 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' E' ' 10' ' ' ALA . 22.8 t -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 172.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -51.78 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.06 -42.34 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.1 8.45 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.05 -54.0 51.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.54 -32.67 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.56 -41.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.57 -43.66 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.28 -36.01 82.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 53.1 t80 -64.94 -36.99 86.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.74 -35.97 82.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.93 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.0 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 172.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.84 -29.74 70.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 172.762 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.24 -31.46 55.93 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.733 1.622 . . . . 0.0 111.191 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.39 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.08 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.22 -45.3 88.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.1 -50.83 72.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.44 -38.18 86.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.22 -41.19 98.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.55 -33.31 70.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.96 -41.58 97.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.37 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.59 -45.11 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.228 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.2 81.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.64 -25.6 60.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 -173.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.33 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.53 83.12 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.277 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.12 89.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.08 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.89 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.49 62.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.93 -28.78 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' W' ' 10' ' ' ALA . 22.8 t -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -51.81 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.1 -42.26 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.0 8.58 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.11 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 111.143 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.03 -54.03 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.74 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.08 75.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.12 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.67 76.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.29 -35.9 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 52.9 t80 -65.03 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.272 173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.82 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.99 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.94 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 172.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 74.3 p -64.95 -29.65 70.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 172.689 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.78 0.324 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.13 -31.62 55.62 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.7 1.6 . . . . 0.0 111.209 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.71 81.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.41 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.27 -45.26 88.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.16 -50.82 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.233 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.35 -41.17 98.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.51 -33.27 71.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.58 97.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.47 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.95 -44.18 97.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.36 -45.35 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.5 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -173.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.44 -43.81 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.48 82.66 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.08 95.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 111.252 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.7 -45.14 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.98 77.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.56 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.83 -28.81 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' G' ' 10' ' ' ALA . 22.5 t -64.74 -43.44 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.3 -51.72 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.11 -42.29 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.12 8.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.13 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 111.218 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -59.97 -54.05 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.26 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.64 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -47.96 77.27 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.61 -41.1 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.336 . . . . 0.0 111.192 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.71 -43.58 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 53.0 t80 -65.05 -36.88 85.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 173.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.88 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -33.99 76.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 3.6 t80 -56.59 -50.05 73.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.68 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.17 172.717 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.77 0.319 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.53 55.67 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.719 1.613 . . . . 0.0 111.214 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.225 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.45 79.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.04 96.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.36 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.08 -50.79 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.27 86.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.51 -33.29 71.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.1 -41.51 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.4 90.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.216 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.53 81.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.45 -45.25 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.05 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.51 60.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.73 -41.53 83.02 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 171.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -42.99 95.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 111.176 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.19 89.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.8 -45.06 75.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.88 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.264 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.72 -49.55 62.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.9 -28.7 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.79 -43.47 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.39 -43.91 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -51.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.93 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.01 8.59 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.11 73.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.241 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -60.03 -54.08 50.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.05 76.02 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.54 -41.18 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.242 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.52 76.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.37 -35.96 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 52.9 t80 -64.99 -36.92 85.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.23 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.92 82.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.98 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 3.7 t80 -56.54 -50.01 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.23 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.23 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.76 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.801 0.334 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.13 -31.61 55.53 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.681 1.587 . . . . 0.0 111.188 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.39 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.1 96.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.44 88.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.83 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.4 -38.18 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.25 98.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.49 97.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.96 -44.11 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.54 -45.2 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.11 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.32 -43.79 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.263 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.52 83.09 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.03 94.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.08 89.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.237 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.89 -45.04 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.196 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.0 76.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.232 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.68 -49.53 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.69 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' Z' ' 10' ' ' ALA . 22.5 t -64.8 -43.46 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 172.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.4 -43.92 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -51.93 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.92 -42.29 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.13 8.49 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.1 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 111.236 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -60.0 -54.03 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.72 30.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.98 76.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.12 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.56 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.23 -35.99 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 53.6 t80 -65.06 -36.92 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.168 173.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.99 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 3.6 t80 -56.6 -49.91 73.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 172.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.87 -29.77 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 172.727 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.715 0.293 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.25 -31.5 56.25 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.738 1.626 . . . . 0.0 111.21 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.64 81.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.36 -42.32 79.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.04 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.218 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.33 88.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.11 85.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.63 -33.18 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.25 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.48 90.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.95 -44.19 97.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.45 81.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.28 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.55 -45.21 77.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.63 -48.1 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.78 -25.45 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.44 -43.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 168.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.53 82.99 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.09 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.234 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.58 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.88 -28.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 23.0 t -64.59 -43.52 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.33 -44.02 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -51.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.31 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.02 8.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.01 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.211 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -59.99 -54.15 49.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -175.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.59 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.17 75.12 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.43 -41.27 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.5 -43.7 75.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.98 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 53.2 t80 -65.02 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 173.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.12 77.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 3.6 t80 -56.44 -50.02 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 172.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 76.0 p -64.97 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.692 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.27 -31.42 56.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.68 1.587 . . . . 0.0 111.177 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.3 -42.36 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.02 96.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' T' ' 30' ' ' VAL . . . -64.28 -45.3 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.86 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.1 85.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.32 -41.28 98.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.43 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.52 97.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.42 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.95 -44.15 97.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.55 -45.15 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.66 -48.07 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.71 -25.54 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.37 -43.82 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.57 82.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.51 -43.14 95.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.196 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.25 89.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.218 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.77 -45.12 75.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.92 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -28.87 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.7 -43.41 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.278 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.42 -44.0 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.24 -51.73 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.54 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.04 -54.07 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.45 -32.66 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -48.04 76.52 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.15 90.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.51 -43.74 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -35.92 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 53.0 t80 -65.15 -36.87 85.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.96 82.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.94 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 3.6 t80 -56.57 -50.03 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 172.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.87 -29.62 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 172.705 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.17 -31.6 55.86 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.199 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.75 81.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.37 79.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.96 96.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' U' ' 30' ' ' VAL . . . -64.28 -45.29 88.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.78 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.38 -41.17 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.5 -33.23 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.41 90.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.212 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.43 -45.23 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.08 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.55 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.38 -43.79 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.56 82.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 171.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.08 94.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.26 89.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.69 -45.19 75.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.88 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.51 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.72 -43.43 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.97 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.2 -51.81 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.04 -42.32 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.05 8.55 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.09 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.239 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.94 -54.15 49.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.48 -32.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -47.98 76.6 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.08 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.174 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.6 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.24 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 53.5 t80 -65.0 -36.92 85.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.92 82.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.08 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.96 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 172.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -64.98 -29.68 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 172.724 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.817 0.342 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.12 -31.62 55.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.75 1.633 . . . . 0.0 111.159 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.65 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.32 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.205 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.37 88.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.11 -50.77 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.36 -38.12 85.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.34 -41.17 98.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.57 -33.16 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.19 -41.45 97.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.237 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.39 90.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.98 -44.15 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.41 -45.29 76.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.55 60.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.38 -43.88 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 168.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.52 82.65 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.15 94.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.75 -45.08 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.96 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.5 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.71 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.96 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.25 -51.7 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.14 -42.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.06 8.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.09 -54.04 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -175.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mm -74.53 -32.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.3 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.55 -41.08 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.747 0.308 . . . . 0.0 111.22 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.58 76.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.0 82.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 53.4 t80 -64.91 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 173.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.82 -35.98 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.98 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 75.9 p -64.99 -29.63 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 172.637 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.323 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.24 -31.47 56.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.64 1.56 . . . . 0.0 111.184 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.76 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.38 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.97 96.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' W' ' 30' ' ' VAL . . . -64.28 -45.38 88.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.98 -50.86 71.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.19 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.21 -41.23 98.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.55 -33.23 70.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.181 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.5 97.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -44.06 97.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.229 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.48 81.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.37 -45.27 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.257 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.7 -48.06 82.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.56 60.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.173 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.3 -43.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.52 83.4 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.04 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.276 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.12 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.88 -45.0 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.89 77.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.45 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.72 -43.46 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.41 -43.92 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.241 174.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.3 -51.72 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.04 8.53 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.03 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -59.97 -54.15 49.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.221 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.65 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.08 75.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.48 -41.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.57 76.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.97 82.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 53.2 t80 -65.06 -36.91 85.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.97 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.1 72.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 72.6 p -64.81 -29.65 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 172.642 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.19 -31.56 55.96 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.687 1.591 . . . . 0.0 111.234 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.82 81.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.44 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.01 96.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.233 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.41 88.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -50.84 72.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.38 -38.14 85.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.25 -41.3 98.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.46 -33.24 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.18 -41.44 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.04 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.48 -45.3 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.58 -48.14 81.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.69 -25.55 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.35 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.57 82.47 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.05 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.24 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.17 89.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.86 -45.08 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.96 77.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.57 -49.53 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.242 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.04 -28.71 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 t -64.71 -43.52 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 172.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.37 -43.96 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.27 -51.76 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.99 -42.38 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.03 8.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.05 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -60.04 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.51 -32.69 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -48.05 75.77 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -41.09 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.69 -43.52 76.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -36.03 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 52.9 t80 -64.96 -36.97 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.0 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.04 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 172.712 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.2 -31.48 55.63 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.653 1.569 . . . . 0.0 111.192 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.72 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.53 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.04 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' Y' ' 30' ' ' VAL . . . -64.26 -45.31 88.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.9 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.33 -38.19 86.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -62.28 -41.2 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.5 -33.33 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.08 -41.51 97.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.47 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.5 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.24 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.16 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.56 -25.7 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.24 -43.84 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.266 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.46 82.98 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.63 -43.08 94.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.09 89.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.82 -45.1 75.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.63 -43.97 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.27 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.62 -49.52 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.97 -28.76 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.229 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.67 -43.53 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.41 -43.91 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.76 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.19 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.13 -42.24 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.224 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.55 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.01 74.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -60.03 -54.07 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.229 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.56 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.174 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.57 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.99 82.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 53.3 t80 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 173.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.95 82.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 3.7 t80 -56.52 -50.07 72.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.8 -29.71 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 172.753 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.58 55.9 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.657 1.571 . . . . 0.0 111.165 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.39 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' Z' ' 30' ' ' VAL . . . -64.29 -45.34 88.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.11 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.14 98.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.257 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.17 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.47 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.221 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.99 -44.14 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.26 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.63 -48.08 82.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.57 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.39 -43.82 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 168.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.64 82.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.55 -43.08 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.261 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.83 -45.12 75.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.95 77.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.61 -49.53 62.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.96 -28.68 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.73 -43.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.0 -42.39 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.12 8.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.2 73.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.93 -54.08 50.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.55 -32.64 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.08 75.69 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.5 -41.22 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.21 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.58 -43.62 76.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -36.02 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 52.9 t80 -64.91 -36.99 86.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -35.93 82.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 3.6 t80 -56.56 -49.99 73.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 172.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.86 -29.74 70.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 172.698 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.761 0.315 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.23 -31.59 56.49 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.72 1.613 . . . . 0.0 111.175 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.8 81.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.4 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.05 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 30' ' ' VAL . . . -64.22 -45.33 88.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.07 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.14 85.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.28 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.14 -41.47 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.48 -45.23 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.52 60.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.37 -43.88 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.65 -41.52 82.47 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.7 -43.04 94.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.17 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -67.74 -45.13 75.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.89 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.57 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.81 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.5 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.02 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 67.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.41 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -56.99 8.65 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.16 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.165 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -59.97 -54.06 50.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.48 -32.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.03 75.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.63 -41.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.59 -43.61 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -36.03 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 53.2 t80 -64.89 -37.04 86.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.92 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.1 77.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 3.7 t80 -56.45 -50.12 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 172.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -64.78 -29.67 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 172.737 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.816 0.341 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.15 -31.6 55.76 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.812 1.674 . . . . 0.0 111.149 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.74 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 79.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.27 -45.3 88.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.13 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.14 85.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.27 -41.21 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.5 -33.29 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.49 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 -48.57 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.27 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.53 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.8 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 168.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.54 82.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.68 -43.02 94.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.192 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 26' ' ' TRP . . . . . 0.402 ' O ' HG23 ' S' ' 30' ' ' VAL . 23.7 m95 -67.84 -45.07 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.94 77.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.51 62.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.256 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.87 -28.83 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.225 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 30' ' ' VAL . . . . . 0.402 HG23 ' O ' ' S' ' 26' ' ' TRP . 22.1 t -64.7 -43.5 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.32 -44.03 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.77 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.265 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.06 -42.34 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.02 8.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.03 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.219 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.99 -54.16 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.75 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.12 75.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.14 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 111.214 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.62 -43.64 76.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.21 -36.08 83.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 53.2 t80 -65.04 -36.9 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.87 -35.89 82.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 3.6 t80 -56.57 -49.97 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 73.6 p -64.91 -29.69 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 172.661 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.796 0.331 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.14 -31.63 55.69 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.702 1.601 . . . . 0.0 111.147 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.13 -42.45 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.26 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.81 72.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.48 -38.03 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.22 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.48 -33.29 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.33 90.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.07 -44.12 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.47 81.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.82 -25.55 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.4 -43.81 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 168.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.55 82.83 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.244 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.22 89.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.82 -45.04 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.95 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.66 -49.46 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.74 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 30' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' K' ' 10' ' ' ALA . 22.6 t -64.72 -43.54 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 172.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.34 -44.02 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.14 -51.91 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.96 -42.3 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.07 8.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.97 73.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.1 -54.01 51.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.6 -32.58 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.03 76.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.14 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.227 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.73 -43.52 76.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.93 82.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.266 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 53.3 t80 -65.08 -36.99 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.74 -35.94 82.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.252 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.94 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 3.6 t80 -56.46 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -64.85 -29.76 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 172.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.741 0.305 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.16 -31.56 55.6 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.667 1.578 . . . . 0.0 111.219 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.72 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.22 -42.47 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.08 96.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.23 -45.34 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.98 -50.83 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.41 -38.12 85.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.33 -41.16 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.64 -33.16 70.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.05 -44.1 97.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.205 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.22 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.1 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.7 -25.59 60.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.3 -43.9 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.255 168.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.62 -41.56 82.33 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.11 94.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.224 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.2 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.0 76.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -43.84 77.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.69 -49.48 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.94 -28.77 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.175 -173.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' L' ' 10' ' ' ALA . 22.4 t -64.76 -43.5 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.94 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 -51.79 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.03 -42.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.02 8.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.48 -44.97 73.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 95.4 m -60.09 -54.03 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.61 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.96 77.0 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.253 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.53 76.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.94 82.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 42' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 53.4 t80 -65.0 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.03 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 45' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 3.7 t80 -56.47 -50.09 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.196 172.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -64.81 -29.68 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 172.685 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.746 0.307 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.09 -31.61 55.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.657 1.571 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 10' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.27 -45.33 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.192 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -58.1 -50.76 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.25 86.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.48 -33.27 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.53 97.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.34 90.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.28 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.08 -44.14 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.48 -45.26 76.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.14 81.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.66 -25.57 60.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.245 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.34 -43.82 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.45 83.05 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.67 -43.04 94.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.23 89.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.71 -45.18 75.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.99 77.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.59 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.7 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.52 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.46 -43.94 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.23 -51.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.2 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.03 8.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.11 73.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.227 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -60.02 -54.03 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.68 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.83 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.19 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.221 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.57 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.2 -36.0 82.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 52.9 t80 -65.04 -36.93 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 173.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.0 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 3.7 t80 -56.53 -49.96 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.277 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -64.83 -29.7 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 172.699 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.21 -31.54 56.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.763 1.642 . . . . 0.0 111.221 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.76 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.189 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.92 96.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.27 -45.3 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.06 -50.9 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.31 -38.2 86.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.11 98.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.63 -33.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.55 97.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.95 -44.19 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.26 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.17 81.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.5 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.43 -43.8 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.56 82.47 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.17 89.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.87 -45.04 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.98 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.52 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' N' ' 10' ' ' ALA . 22.6 t -64.71 -43.46 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.43 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.98 -42.41 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -57.01 8.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.08 73.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.105 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.06 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.254 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.56 -32.64 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.04 76.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.57 -43.53 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.01 82.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 53.4 t80 -64.97 -36.92 85.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 173.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 3.7 t80 -56.46 -50.1 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -64.81 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.207 172.706 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.808 0.337 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.19 -31.54 55.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.685 1.59 . . . . 0.0 111.2 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.43 79.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.33 -45.33 88.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.15 85.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.31 -41.18 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.47 -33.34 71.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.05 -41.6 97.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.34 90.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.03 -44.13 97.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.55 -45.19 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.68 -48.09 82.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.46 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -173.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.42 -43.79 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.242 168.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.59 83.1 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.1 94.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.18 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.1 89.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.85 -45.06 75.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.01 76.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.58 -49.54 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.72 -43.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.43 -43.98 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.03 -42.3 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.4 -57.06 8.57 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.05 -54.1 50.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.04 76.27 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.73 -43.49 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.35 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 53.3 t80 -65.03 -36.92 85.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -36.05 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.82 -34.16 77.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.98 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 172.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -64.83 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 172.747 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.17 -31.65 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.789 1.659 . . . . 0.0 111.144 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.78 81.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.3 79.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.97 97.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.33 -45.25 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.173 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.13 -50.86 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.09 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -41.18 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.5 -33.27 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.06 -41.62 97.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.53 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.22 175.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -44.18 97.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.49 81.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.25 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.06 82.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.78 -25.5 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.38 -43.84 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 168.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.64 82.67 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.52 -43.13 95.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.09 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.9 -45.08 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.89 77.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.59 -49.58 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 30' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' P' ' 10' ' ' ALA . 22.5 t -64.67 -43.5 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.39 -44.03 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.2 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.02 -42.41 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.06 8.49 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.32 -45.06 73.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.201 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -54.06 50.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.6 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.29 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.18 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.64 76.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.16 -36.03 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 52.9 t80 -64.94 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.9 -35.82 82.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.219 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -34.01 76.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 3.7 t80 -56.49 -50.03 72.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 75.1 p -64.89 -29.75 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.229 172.682 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.27 -31.5 56.47 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.642 1.561 . . . . 0.0 111.19 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.44 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.94 96.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.8 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.1 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.17 98.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.264 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.53 -33.31 71.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.04 -41.58 97.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.38 90.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.01 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.205 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.17 77.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.213 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.72 -25.64 60.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.69 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 168.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.53 83.32 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.301 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.12 89.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.79 -45.18 75.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.6 -49.52 62.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.8 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' Q' ' 10' ' ' ALA . 22.5 t -64.73 -43.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.0 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.24 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.28 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.95 8.75 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -44.98 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.211 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 97.5 m -59.98 -54.04 50.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.63 -32.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.11 75.55 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.54 -41.13 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.56 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.97 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 53.3 t80 -64.98 -36.94 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 173.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.01 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 3.7 t80 -56.52 -49.99 73.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 172.732 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.23 -31.45 55.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.683 1.588 . . . . 0.0 111.238 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.75 82.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.38 79.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.95 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.239 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.11 -50.76 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.35 -38.26 86.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.19 -41.23 98.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.47 -33.28 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.03 -41.57 97.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.254 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.49 90.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.16 97.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.269 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.23 77.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.5 60.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.83 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.6 82.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.06 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.223 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.73 -45.15 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.56 -49.64 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.85 -28.69 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.284 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.77 -43.58 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.38 -43.91 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.81 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.05 -42.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.08 8.52 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.02 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.22 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -59.97 -54.1 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.248 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.54 -32.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.91 -48.11 74.95 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.55 -41.16 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.237 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.57 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.26 -35.93 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.24 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.15 -36.79 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.88 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.88 -34.12 77.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.46 -50.01 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.83 -29.79 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.23 -31.54 56.22 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.636 1.557 . . . . 0.0 111.218 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.36 88.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 85.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.2 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.18 98.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.15 -41.51 97.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.94 -44.21 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.55 -45.18 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.15 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.5 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.38 -43.83 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 168.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.45 82.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.71 -42.94 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.182 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.08 89.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.165 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.92 -45.12 75.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.48 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.94 -28.8 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.67 -43.43 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.21 -51.81 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.01 -42.29 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.08 8.49 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -53.98 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.09 75.55 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.55 -41.16 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 111.239 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.09 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.04 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.22 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.53 -49.92 73.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -64.93 -29.72 70.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.181 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 172.742 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.788 0.327 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.22 -31.48 55.82 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.677 1.585 . . . . 0.0 111.237 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.47 80.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.227 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.26 88.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.194 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.81 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.38 -38.1 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.249 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.14 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.6 -33.28 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.54 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.44 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.0 -44.07 97.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.3 76.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.147 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.59 -48.1 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.58 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.38 -43.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 168.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.59 83.25 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.05 95.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.755 0.312 . . . . 0.0 111.229 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.16 89.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.05 75.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.248 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.254 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.54 62.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.92 -28.81 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -173.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.68 -43.51 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.4 -43.91 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.02 8.59 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.98 73.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.11 -54.03 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.63 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.99 76.77 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.49 -41.28 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.54 -43.57 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.34 -35.94 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -64.96 -37.0 86.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.9 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.232 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 172.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.81 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.244 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 172.706 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.25 -31.57 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.74 1.626 . . . . 0.0 111.194 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.74 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.257 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.4 79.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.32 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.12 -50.78 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.34 -41.15 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.57 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.238 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.34 90.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.46 -45.31 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.13 82.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.68 -25.53 60.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.44 -43.73 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.5 83.42 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.61 -43.02 95.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 111.22 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.13 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.264 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.78 -45.16 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.96 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.46 62.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.86 -28.86 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.69 -43.49 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.34 -43.98 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.23 -51.71 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.15 -42.29 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.54 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.07 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -54.03 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -74.55 -32.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -48.0 76.93 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.58 -41.1 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.51 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -36.01 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -64.98 -37.0 86.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.72 -35.98 82.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.42 -50.05 72.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.88 -29.72 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.13 -31.49 55.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.681 1.587 . . . . 0.0 111.233 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.79 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.4 80.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.98 96.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.34 88.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.05 -50.82 72.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.2 86.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.21 -41.21 98.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.52 -33.26 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.06 -44.0 97.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 96.0 m -55.56 -45.27 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.57 -48.04 82.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.285 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.62 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.32 -43.85 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 168.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.7 -41.47 82.7 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.06 94.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 111.198 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.245 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.81 -45.1 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.93 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.52 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.8 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.68 -43.49 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 172.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.44 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.0 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.12 8.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.0 74.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.327 . . . . 0.0 111.29 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.02 -54.08 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.64 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.0 77.07 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.61 -41.09 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.192 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.59 -43.6 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -35.92 82.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.07 -36.94 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.81 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.07 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.51 -50.08 72.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 75.2 p -64.87 -29.65 70.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 172.665 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.842 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.15 -31.61 55.75 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.744 1.629 . . . . 0.0 111.144 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.29 -42.34 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.202 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.06 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.41 88.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.78 72.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.21 86.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.11 98.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.59 -33.25 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.12 -41.52 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.45 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.248 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.48 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -55.39 -45.25 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.289 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.01 82.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.198 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.34 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.52 83.26 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 171.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.22 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.75 -45.15 75.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.95 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.47 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.0 -28.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 -173.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.7 -43.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.201 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.44 -43.9 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.29 -51.81 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.96 -42.29 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.269 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.44 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.03 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.175 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -54.01 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.69 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.05 76.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.15 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.171 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.7 -43.54 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.05 82.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.9 -36.98 86.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.91 -35.89 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.03 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.263 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.56 -49.96 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -29.7 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 172.739 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.825 0.345 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.1 -31.62 55.21 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.706 1.604 . . . . 0.0 111.242 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.65 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.44 79.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.25 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.14 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.15 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.47 -33.36 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.99 -41.57 97.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.37 90.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.21 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.05 -44.06 97.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.6 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.47 -45.21 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.63 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.31 -43.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.07 94.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.22 89.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.8 -45.07 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.83 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.67 -49.56 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.62 -43.48 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.277 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.4 -43.94 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.27 -51.77 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.97 -42.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.236 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.45 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.09 73.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.71 0.291 . . . . 0.0 111.113 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.02 -54.02 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.256 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.52 -32.66 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.238 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.02 76.52 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.55 -41.14 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.233 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.59 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.22 -36.04 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.238 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.75 -35.9 82.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.98 76.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.51 -50.06 72.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 73.1 p -64.75 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 172.745 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.857 0.36 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -31.55 56.45 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.657 1.571 . . . . 0.0 111.227 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.81 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.29 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.3 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.12 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.17 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.52 -33.27 70.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.12 -41.49 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.227 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.38 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.04 -44.11 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.48 81.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -55.57 -45.21 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.5 60.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.39 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.63 82.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.54 -43.07 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.9 -45.02 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.67 -49.55 62.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.74 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -173.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.76 -43.45 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.24 -51.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.42 94.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.05 -54.08 50.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.5 -32.66 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.14 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 111.22 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.53 -43.68 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.23 -35.99 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.99 -36.99 86.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.85 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.05 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.45 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 73.3 p -64.92 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 172.702 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.21 -31.56 56.13 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.707 1.604 . . . . 0.0 111.206 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.7 81.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.38 79.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.96 96.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.43 88.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.02 -50.84 72.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -41.11 98.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.49 -33.39 71.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.51 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.42 90.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.98 -44.18 97.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.46 81.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.47 -45.24 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.76 -25.46 60.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -173.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.48 -43.73 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.54 83.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 111.138 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.22 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.73 -45.18 75.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.229 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.224 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.69 -49.45 62.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.98 -28.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.67 -43.58 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -43.9 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.33 -51.74 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.41 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.14 8.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.11 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.167 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -54.01 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.72 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.97 76.87 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.59 -41.15 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.157 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.6 -43.62 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.28 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.08 -36.91 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.92 -35.81 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.02 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.237 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.54 -50.03 73.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.9 -29.66 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 172.71 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.86 -28.88 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.69 1.593 . . . . 0.0 111.208 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.48 79.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.23 -36.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.94 99.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 174.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.13 98.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.27 -41.05 96.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.5 -42.56 92.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -42.02 96.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.29 -47.35 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.52 92.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -35.74 79.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -58.54 -43.15 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.84 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.4 -37.78 87.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.56 -42.97 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.88 94.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.8 -39.32 90.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.56 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.211 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.14 -40.13 84.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.82 72.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.64 28.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.7 -26.24 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.09 -48.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.49 -41.85 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.61 -39.4 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -52.44 26.52 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.61 93.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.81 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.187 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -45.51 87.29 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.32 -39.54 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.73 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.5 -39.04 82.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.43 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.22 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.54 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 167.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -54.76 -41.87 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.663 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.766 0.317 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.86 -28.92 50.47 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.699 1.599 . . . . 0.0 111.187 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.49 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 173.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.7 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.08 99.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.27 98.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.16 -41.1 96.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.5 -42.56 91.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.28 -41.61 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.43 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.57 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.92 -35.7 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.216 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.58 -43.15 89.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.89 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.4 -37.85 87.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.51 -42.98 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.04 -43.74 94.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.6 68.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.02 -40.16 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.91 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.64 27.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.96 -48.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.67 -26.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -172.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.23 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.51 -41.81 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.291 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.66 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.46 26.21 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.51 92.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 111.164 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.34 -55.89 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.27 -41.08 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.264 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.52 86.99 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.35 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.32 -41.73 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.99 -36.57 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.52 -39.08 82.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.62 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.88 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.192 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.222 178.704 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.89 -28.85 50.31 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.738 1.626 . . . . 0.0 111.191 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.5 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.51 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.07 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.06 96.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.47 -42.53 92.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.277 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -42.11 96.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.36 -47.3 84.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.52 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.98 -35.72 78.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.33 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.16 89.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.85 87.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.214 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.47 -43.08 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.86 94.63 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.27 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.195 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.62 68.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.206 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.18 -40.16 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.96 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.11 -43.64 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.72 -26.17 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -172.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.52 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.65 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.98 -52.44 26.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.63 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.03 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.47 87.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.36 -39.49 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.25 -41.82 93.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.85 -36.67 85.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.05 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.2 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.48 -49.71 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.87 -41.79 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.659 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.848 0.356 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.8 -28.86 51.05 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.658 1.572 . . . . 0.0 111.253 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.51 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.58 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.06 99.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.16 98.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.239 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.55 -42.51 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.01 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.62 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.57 91.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.232 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.61 -43.1 89.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.93 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.34 -37.89 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.49 -43.05 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.83 -43.93 94.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.23 90.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.237 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.55 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.14 -40.09 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.28 -43.64 27.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.96 -48.83 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.63 -26.19 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -172.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.26 -48.2 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.91 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.6 -39.36 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.05 -52.41 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.63 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.79 27.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.12 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.57 86.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.28 -39.54 84.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.68 94.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.244 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' D' ' 44' ' ' LYS . 90.2 mt -65.09 -36.47 84.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.51 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' D' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.212 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.69 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.229 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.81 -41.83 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 178.737 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.756 0.313 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.87 -28.84 50.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.685 1.59 . . . . 0.0 111.197 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.49 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.205 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.09 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.34 -40.95 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 75.3 m -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.43 -47.32 84.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.5 92.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.94 -35.68 78.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.3 96.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.6 -43.22 89.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.24 -48.96 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.33 -37.9 87.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.43 -43.08 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.74 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.97 -39.22 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.746 0.308 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.66 68.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.03 -40.19 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.87 -37.9 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.243 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.72 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -172.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.22 -48.08 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.66 -41.81 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.51 25.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -55.32 -55.83 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.18 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.52 86.82 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.25 -39.55 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.72 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' E' ' 44' ' ' LYS . 89.8 mt -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.222 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.99 82.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.55 72.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' E' ' 41' ' ' LEU . 68.5 mttm -64.33 -39.25 93.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 167.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.8 -41.84 71.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.699 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.78 -28.94 51.17 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.724 1.616 . . . . 0.0 111.19 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.41 79.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.66 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.08 96.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.233 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.48 -42.54 92.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.269 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.26 -42.04 96.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.69 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.34 84.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.69 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.32 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.61 -43.17 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.86 79.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.47 -43.11 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.89 94.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.29 90.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.6 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.1 -40.12 84.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.92 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.25 -43.62 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.03 -48.74 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.22 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.07 -48.29 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.9 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.58 -39.45 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.46 26.01 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 92.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.743 0.306 . . . . 0.0 111.193 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.35 -55.78 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.14 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.58 86.54 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.28 -39.53 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.97 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.59 -38.95 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.58 -34.45 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.26 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.69 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.259 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.277 178.594 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.87 -28.9 50.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.52 79.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.54 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.26 98.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.2 -41.06 96.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.48 -42.52 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.37 -41.95 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.53 96.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.47 -47.25 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.78 79.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.39 96.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.65 -43.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.43 -48.87 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.84 87.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.84 94.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.9 -39.21 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.59 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.09 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.82 72.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.71 27.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.84 -48.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.73 -26.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.09 -48.26 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.55 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.57 -39.49 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 84.4 m -55.43 -55.77 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.33 -41.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.58 86.48 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.28 -39.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.209 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.65 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' G' ' 44' ' ' LYS . 89.6 mt -65.0 -36.66 85.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 175.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.45 -39.05 82.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 171.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' G' ' 41' ' ' LEU . 68.5 mttm -64.34 -39.23 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.49 -49.71 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.84 -41.82 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.211 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 178.658 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.9 -28.88 50.17 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.201 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.53 79.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 173.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.25 -36.67 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.1 99.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.19 98.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.1 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.46 91.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.3 -42.07 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.61 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.34 84.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.58 91.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.94 -35.71 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.36 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.14 89.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.88 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.42 -37.86 87.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.202 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -43.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.81 94.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.95 -39.22 90.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.64 68.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.78 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.35 -43.56 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.187 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.85 -48.94 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.2 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.2 -48.25 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.51 -41.8 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.64 -39.51 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.53 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.53 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.41 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.11 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.55 86.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.27 -41.77 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.93 -36.63 85.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.56 -34.48 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.42 -39.12 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.21 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.7 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.81 -41.86 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 178.683 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.898 0.38 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.95 -28.87 49.79 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.702 1.601 . . . . 0.0 111.168 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.39 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.39 -36.6 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.07 98.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.02 96.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.52 -42.47 91.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.27 -42.11 96.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.65 96.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.37 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.5 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -68.04 -35.7 78.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.58 -43.12 89.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.79 80.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.41 -37.87 87.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.48 -43.09 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.194 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.92 94.53 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.86 -39.3 90.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.17 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.68 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.09 -40.09 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.32 -43.61 27.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.92 -48.84 86.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.62 -26.25 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -172.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.52 -41.87 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.65 -39.37 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.96 -52.47 26.1 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.52 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 85.9 m -55.34 -55.83 27.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.4 -41.09 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.56 86.74 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.29 -39.56 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.215 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 41' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' I' ' 44' ' ' LYS . 89.9 mt -64.93 -36.56 84.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -38.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.57 -34.51 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD23 ' I' ' 41' ' ' LEU . 68.5 mttm -64.38 -39.17 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.61 -49.63 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.205 167.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.8 -41.85 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 178.703 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.9 -28.86 50.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.671 1.581 . . . . 0.0 111.22 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.28 -36.67 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.266 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.19 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.06 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.5 -42.57 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.31 -47.33 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.62 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.71 78.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.27 96.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.234 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.6 -43.17 89.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.89 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -42.99 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.23 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.78 94.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.9 -39.21 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.251 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.56 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.07 -40.2 84.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.85 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.65 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.73 -26.16 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -172.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.228 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.209 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.74 -39.36 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.53 93.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.5 86.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.32 -39.56 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.79 94.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.88 -36.6 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.59 -39.0 82.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.5 72.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.24 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.291 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.5 -49.72 71.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.253 167.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 87.4 m -54.74 -41.78 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.691 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.891 0.376 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.86 -28.85 50.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.669 1.579 . . . . 0.0 111.206 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.44 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.28 -36.61 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.259 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.03 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.08 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.46 -42.51 92.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.232 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.35 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.52 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.9 -35.66 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.42 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 97.9 m -58.49 -43.18 88.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.41 -37.74 86.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.59 -42.94 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.72 95.0 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.92 -39.36 90.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.194 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.56 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.13 84.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.228 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.01 -37.86 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.69 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.8 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.69 -26.25 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -172.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.09 -48.27 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.54 -41.77 93.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.62 -39.5 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.42 26.13 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.57 93.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.39 -55.81 27.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.228 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.13 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.57 86.49 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.23 -39.56 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.96 -36.53 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.56 -39.03 82.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.45 72.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.35 -39.29 93.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.61 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 167.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.8 -41.92 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 178.67 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.73 -28.98 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.7 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.09 99.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.18 98.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.21 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.57 91.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -41.96 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.32 -41.58 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.42 -47.3 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.49 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.88 -35.73 79.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.258 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.59 -43.18 89.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.75 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.55 -43.08 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.83 94.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.21 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.278 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.09 -40.14 84.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.64 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.243 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.99 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.26 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.16 -48.2 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.58 -41.79 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.65 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.38 26.13 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.57 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.38 -55.85 26.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.29 -41.07 83.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.6 86.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.58 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.166 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.79 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' L' ' 44' ' ' LYS . 89.8 mt -64.91 -36.66 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 42' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.43 -39.09 82.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.262 171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.45 -34.59 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' L' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 176.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.63 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.87 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.194 178.744 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -65.86 -28.85 50.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.689 1.593 . . . . 0.0 111.258 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.59 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.186 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.07 99.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.14 96.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.56 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -42.08 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.19 -41.65 96.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.3 84.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.45 92.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.71 78.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.31 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.55 -43.2 89.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.92 79.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.76 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.259 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.61 -43.03 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.81 94.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.4 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.71 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.05 -40.09 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.94 72.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.16 -43.71 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.66 -26.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -172.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.19 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.59 -39.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.1 -52.41 26.95 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.6 93.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.307 . . . . 0.0 111.216 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.34 -55.76 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.59 86.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.63 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 111.192 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.22 -41.81 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' M' ' 44' ' ' LYS . 89.7 mt -65.06 -36.44 84.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.227 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.58 -39.03 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 171.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.63 -34.47 72.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' M' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.26 93.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.207 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.52 -49.64 72.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.82 -41.88 71.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 178.681 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.785 0.326 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.88 -28.84 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.682 1.588 . . . . 0.0 111.213 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.5 79.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.71 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.12 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.28 98.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.04 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.48 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.66 96.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.36 84.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.54 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.31 -48.89 79.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -62.4 -37.82 87.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.01 -43.72 94.92 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.92 -39.23 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.07 -40.07 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.205 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.81 72.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.21 -43.71 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.03 -48.7 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.69 -26.25 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.53 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.58 -39.45 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.5 25.8 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.58 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.247 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.33 -55.85 26.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -40.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.62 86.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.2 -39.55 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.266 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.4 -41.79 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.0 82.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.53 -34.46 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.43 -39.25 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 167.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.76 -41.83 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 178.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -65.84 -28.97 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.719 1.613 . . . . 0.0 111.144 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 174.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.62 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.22 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.17 -41.11 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.55 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.61 96.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.47 83.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.61 91.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.79 79.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.28 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 96.7 m -58.64 -43.1 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.92 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.44 -37.71 86.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.76 94.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.208 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.68 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.01 -40.16 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.65 27.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.88 -48.87 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.31 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.1 -48.21 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.6 -39.45 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.55 25.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.59 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.88 26.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.24 -41.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.61 86.36 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 111.219 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.02 -36.5 84.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.72 -38.86 82.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 171.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.65 -34.44 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 178.736 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.767 0.317 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.81 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.72 1.614 . . . . 0.0 111.191 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.44 79.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.42 -36.51 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.2 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.22 -41.11 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.49 -42.55 92.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.31 -42.03 96.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.27 -41.51 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.48 -47.31 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.43 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.95 -35.72 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.34 96.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.239 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -58.55 -43.15 89.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.265 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.36 -48.91 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.44 -37.75 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -42.98 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.227 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.85 94.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.85 -39.3 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.257 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.7 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -58.99 -40.25 84.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.212 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.88 71.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.24 -43.67 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.92 -48.86 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.233 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.6 -26.24 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.56 -41.78 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.66 -39.52 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.36 26.34 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.54 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.33 -55.88 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.08 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.245 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.62 86.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.3 -41.81 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.54 -38.99 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.64 -34.42 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.16 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.53 -49.67 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.185 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -54.79 -41.85 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.25 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.29 178.622 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.75 -28.98 51.33 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.706 1.604 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.66 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.28 98.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.03 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.57 91.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.03 96.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.59 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.28 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.5 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.47 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.54 -43.19 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.39 -37.81 87.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.49 -43.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.81 94.69 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.82 -39.32 90.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.224 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.54 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.185 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.26 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.9 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.65 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.04 -48.78 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.57 -26.33 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.225 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.49 -41.9 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.246 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.55 -39.52 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.43 25.81 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.49 92.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.179 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.4 -55.77 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -41.03 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.52 87.03 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.24 -39.61 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.188 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.25 -41.79 93.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' Q' ' 44' ' ' LYS . 89.5 mt -64.97 -36.64 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 175.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.52 -39.06 82.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.47 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' Q' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.27 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.53 -49.64 72.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.89 -41.83 71.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 178.67 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.82 -28.99 50.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.615 . . . . 0.0 111.168 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.49 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.21 -36.69 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.18 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.17 -41.12 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.57 -42.54 91.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.6 96.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.3 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.52 92.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.92 -35.67 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.47 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.59 -43.02 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.25 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.87 79.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.47 -37.79 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.07 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.84 94.72 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.37 90.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -51.65 68.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.04 -40.14 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.91 72.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.15 -43.75 27.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.91 -48.78 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.66 -26.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -172.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.1 -48.19 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.61 -41.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.63 -39.49 83.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.42 26.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.6 93.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.28 -55.88 26.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.07 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.45 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.28 -39.57 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 111.155 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.77 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' R' ' 44' ' ' LYS . 89.8 mt -65.01 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.06 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.44 72.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' R' ' 41' ' ' LEU . 68.5 mttm -64.42 -39.26 93.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' R' R ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.56 -49.65 72.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 167.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.79 -41.87 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.694 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -65.78 -28.88 51.18 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.726 1.617 . . . . 0.0 111.248 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.52 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.64 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.01 99.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.225 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.24 -41.09 96.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.56 -42.45 91.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.26 -42.1 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.39 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.62 91.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.96 -35.69 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.6 -43.09 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.39 -37.9 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.05 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.29 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.169 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.63 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.17 84.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.88 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.66 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.97 -48.79 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.68 -26.22 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.25 -48.18 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.58 -39.46 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.217 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.53 25.64 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.51 93.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.257 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.38 -55.9 26.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.32 -41.15 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.61 86.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.25 -39.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.219 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.1 -36.43 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 42' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.45 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.29 93.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.64 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.78 -41.83 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 178.731 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.87 -28.91 50.41 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.688 1.592 . . . . 0.0 111.201 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.46 79.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.05 96.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.52 -42.5 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.31 -41.97 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.58 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.237 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.43 96.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -43.16 88.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 174.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.47 -48.77 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.46 -37.75 87.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.08 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.234 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.8 94.78 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.65 68.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -58.99 -40.21 84.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.216 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.77 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.23 -43.67 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.98 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.61 -26.28 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.17 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.57 -39.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.196 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.44 25.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.62 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.26 -55.9 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.1 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.56 86.38 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.34 -39.53 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.81 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.49 -39.07 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.59 -49.67 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.74 -41.88 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 178.718 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.85 -28.93 50.61 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.741 1.627 . . . . 0.0 111.174 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.51 79.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.219 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.7 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.21 99.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.26 98.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.62 92.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.229 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.17 -42.1 96.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.25 -41.58 96.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.43 -47.34 84.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.52 92.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.93 -35.67 78.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.45 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.51 -43.12 89.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -62.32 -37.85 87.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.82 94.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.86 -39.31 90.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.57 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.83 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.24 -43.68 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.67 -26.19 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.24 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.57 -41.75 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.66 -39.47 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.45 26.1 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.69 93.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.12 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.62 86.46 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.24 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.77 94.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' U' ' 44' ' ' LYS . 89.3 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -39.04 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.188 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.48 -34.58 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' U' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.25 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.43 -49.69 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.267 167.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.82 -41.81 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 178.644 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.734 0.302 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.84 -28.88 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.704 1.603 . . . . 0.0 111.198 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.5 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 173.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.63 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.1 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.13 98.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.07 96.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.48 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.58 97.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.278 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.45 -47.31 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.48 92.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.97 -35.68 78.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.33 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.67 -43.14 89.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.8 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.95 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -176.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.45 -43.12 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.85 94.72 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.86 -39.27 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.6 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.04 -40.19 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.87 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.63 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.83 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.71 -26.28 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -172.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.21 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.59 -41.84 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.6 -39.47 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.84 -52.48 25.52 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.52 92.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -55.44 -55.75 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.07 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -45.57 86.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.182 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.79 93.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' V' ' 44' ' ' LYS . 89.7 mt -64.95 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' V' V ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.57 -38.99 82.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.61 -34.47 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' V' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.28 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' V' V ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.58 -49.58 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 167.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.86 -41.79 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.242 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 178.627 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.93 49.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.7 1.6 . . . . 0.0 111.18 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.36 -36.55 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.04 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.226 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.21 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.13 -41.16 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.52 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.29 -41.56 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.36 83.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.51 92.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.72 78.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 96.8 m -58.6 -43.15 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.77 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.55 -43.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.75 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.8 -39.3 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.22 -40.09 84.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.81 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.23 -43.68 27.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.256 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.9 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.286 -173.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.22 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.249 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.2 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.38 26.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 85.2 m -55.25 -55.92 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.03 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -45.68 86.03 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.34 -41.74 94.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.01 -36.55 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.61 -38.97 82.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 171.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.42 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.21 93.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.54 -49.66 72.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 167.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.76 -41.88 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 178.662 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.9 -28.89 50.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.714 1.609 . . . . 0.0 111.167 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.53 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.26 -36.68 69.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.266 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.15 98.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.11 96.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.04 96.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.28 -41.58 96.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.39 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.51 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.96 -35.76 78.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.31 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.53 -43.18 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.218 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.82 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.55 -37.76 87.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.51 -43.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.83 94.75 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.59 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.13 -40.16 84.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.81 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.77 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.85 -48.88 85.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -173.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.249 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.16 -48.16 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.256 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.84 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.67 -39.43 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.45 25.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.61 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.33 -55.83 27.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.12 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.58 86.79 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.53 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.199 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.74 94.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.04 -36.5 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.56 -39.04 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 171.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.39 -39.18 93.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.62 -49.66 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 167.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 178.697 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.93 -28.78 50.02 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.666 1.577 . . . . 0.0 111.16 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.48 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.64 68.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.2 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.14 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.28 -40.99 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.62 -42.46 91.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.6 96.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.32 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.5 92.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.226 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.89 -35.73 79.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.38 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.61 -43.16 89.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.46 -37.81 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.51 -43.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.86 94.69 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.85 -39.35 90.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 111.2 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.61 68.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.13 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.222 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.84 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.64 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.97 -48.81 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.25 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.13 -48.21 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.8 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.61 -39.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.52 92.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 83.7 m -55.41 -55.83 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -45.59 86.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.26 -39.57 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.189 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.02 -36.5 84.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.55 -39.1 82.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.54 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.36 -39.26 93.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.65 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 167.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.85 -41.77 71.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.273 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 178.617 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.92 -28.87 50.07 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.193 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.58 79.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.64 69.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.1 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 174.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.31 -41.03 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.45 91.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.08 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.32 84.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.58 91.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.86 -35.82 79.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.32 96.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.56 -43.21 89.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.35 -37.88 87.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.21 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.87 94.77 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.89 -39.32 90.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.184 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.54 69.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.296 175.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -59.14 -40.14 84.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.218 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.22 -43.66 27.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.94 -48.81 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.66 -26.27 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.21 -172.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.05 -48.31 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.51 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.7 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.55 25.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.64 93.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 84.6 m -55.45 -55.71 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.196 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.47 -41.09 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.54 86.48 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.31 -39.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.24 -41.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 41' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' Z' ' 44' ' ' LYS . 89.6 mt -64.98 -36.53 84.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.25 175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Z' Z ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.46 -39.09 82.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.54 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 44' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' Z' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Z' Z ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.62 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 167.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.91 -41.75 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.662 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.84 -28.92 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.707 1.604 . . . . 0.0 111.177 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.45 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.68 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.232 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.0 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.29 -42.09 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.18 -41.63 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.235 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.29 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.43 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.99 -35.66 78.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.57 -43.2 89.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.86 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.4 -37.78 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.49 -43.09 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.84 94.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.23 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 111.27 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.66 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.05 -40.17 84.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.85 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.18 -43.66 27.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.96 -48.87 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -173.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 28.8 m -70.65 -26.21 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.2 -48.13 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.61 -41.84 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.57 -39.58 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.44 25.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.56 92.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.35 -55.77 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.39 -41.09 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.55 86.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.35 -41.67 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.281 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.55 -38.98 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.222 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.67 -34.47 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.36 93.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.67 71.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 167.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.77 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.85 -28.87 50.65 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.746 1.631 . . . . 0.0 111.161 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.49 79.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.55 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.02 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.16 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.58 -42.4 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.38 -42.03 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.3 -41.53 96.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 96.4 m -58.59 -43.07 89.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.5 -37.71 87.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.51 -43.07 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.89 94.6 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.87 -39.26 90.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.63 68.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.06 -40.1 84.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.64 27.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 -26.2 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.22 -48.19 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.65 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.47 25.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 93.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 86.1 m -55.33 -55.76 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.06 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -45.56 86.99 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 85.3 mt -66.23 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 111.239 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.2 -41.9 93.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.88 -36.63 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.187 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.02 82.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.44 72.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.193 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.58 -49.66 72.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.79 -41.87 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 178.765 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.86 -28.81 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.709 1.606 . . . . 0.0 111.198 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.48 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.61 68.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.225 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.31 -41.04 96.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.09 96.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.63 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.31 -47.38 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.53 91.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.67 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.36 96.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.57 -43.17 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.8 80.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.81 87.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.47 -43.15 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.75 94.78 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.91 -39.32 90.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.01 -40.22 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.83 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.26 -43.68 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.98 -48.75 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.63 -26.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -172.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.47 -41.95 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -39.4 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.48 26.11 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 111.219 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.28 -55.86 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.35 -41.08 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.6 86.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.8 94.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.62 -39.02 82.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.47 -34.54 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.31 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.5 -49.69 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 167.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.79 -41.89 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.332 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.84 -28.84 50.71 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.663 1.575 . . . . 0.0 111.278 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.53 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.66 68.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.47 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.08 96.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.23 -41.62 96.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.35 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.52 92.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.9 -35.74 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.55 -43.19 89.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -62.43 -37.8 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.53 -43.02 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.8 94.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.21 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.59 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.03 -40.16 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.81 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.22 -43.68 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.94 -48.88 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.6 -26.23 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.1 -48.21 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.64 -41.82 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.61 -39.41 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.44 26.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.55 92.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.774 0.321 . . . . 0.0 111.172 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 84.0 m -55.36 -55.84 26.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.06 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.67 86.0 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.57 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 111.244 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.72 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.96 -36.54 84.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.89 82.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 171.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.66 -34.39 71.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.61 -49.64 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 167.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.88 -28.95 50.33 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.724 1.616 . . . . 0.0 111.165 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.45 80.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.61 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.208 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.12 96.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.04 96.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.32 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.6 91.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.81 -35.78 79.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.39 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.52 -43.2 89.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.28 -48.92 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.45 -37.77 87.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 -176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.49 -43.02 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.99 -43.88 94.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.76 -39.33 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.66 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.02 -40.12 84.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.89 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.08 -43.67 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.93 -48.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.14 -48.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.51 -41.85 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.64 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.4 26.38 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.53 92.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.182 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.35 -55.85 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.13 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.62 86.28 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.27 -39.56 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 111.18 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.33 -41.71 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.99 -36.61 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -39.09 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.47 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.52 -49.67 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.209 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.83 -41.91 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 178.665 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.848 0.356 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.93 -28.79 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.716 1.611 . . . . 0.0 111.159 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.46 79.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -72.29 -36.67 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.98 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.197 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.06 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.256 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -42.09 96.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.62 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.38 -47.24 84.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.59 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 84.5 p -67.89 -35.72 78.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.47 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.57 -43.2 89.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.81 80.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.87 87.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.41 -43.14 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.87 94.58 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.88 -39.27 90.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.2 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.59 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.12 -40.17 84.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.65 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.94 -48.87 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.29 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.16 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.62 -41.75 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.66 -39.46 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.44 26.16 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.53 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 86.3 m -55.36 -55.84 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.1 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.63 86.33 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.25 -39.56 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.79 94.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.07 82.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.25 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.22 93.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.56 -49.76 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.72 -41.84 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.249 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.657 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.96 -28.73 49.8 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.695 1.597 . . . . 0.0 111.191 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.43 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.68 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.03 96.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.55 -42.6 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.2 -42.1 96.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.24 -41.64 96.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.26 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.257 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.48 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.165 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.43 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.49 -43.19 88.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.41 -48.76 80.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.53 -37.73 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.58 -43.04 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.81 94.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.233 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.02 -40.16 84.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.83 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.74 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.86 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.65 -26.23 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -172.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.55 -41.79 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.78 -39.31 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.59 25.46 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.63 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.21 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -55.24 -55.83 26.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.08 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.228 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -39.52 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 111.184 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.39 -41.72 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.53 -39.06 82.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.47 72.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.08 93.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.6 -49.66 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.79 -41.9 71.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 178.65 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.9 -28.8 50.28 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.677 1.584 . . . . 0.0 111.221 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.43 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.53 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.11 99.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.11 98.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.28 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.49 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.225 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.35 -41.99 96.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.34 -41.57 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.44 -47.21 84.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.237 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.49 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.97 -35.7 78.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.41 96.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.68 -43.05 89.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.44 -48.79 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.265 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.43 -37.8 87.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.52 -43.04 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.89 94.58 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.34 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.63 68.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -58.96 -40.25 84.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.75 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.88 -48.83 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.28 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.65 -41.78 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.62 -39.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.81 -52.54 25.18 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.53 93.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.37 -55.76 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.215 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.51 86.96 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.34 -39.49 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.36 -41.74 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.92 -36.62 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.49 -39.02 82.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 171.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.56 72.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.25 93.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.48 -49.73 71.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 167.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.87 -28.84 50.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.236 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.26 -36.59 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.2 98.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.23 -41.13 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.43 -42.58 92.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.2 -42.09 96.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.63 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.37 -47.29 84.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.55 91.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.41 96.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.57 -43.09 89.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.85 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.48 -37.76 87.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -176.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.48 -43.09 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.84 94.71 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.85 -39.29 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.65 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.274 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.82 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.19 -43.7 27.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.97 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -26.41 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.13 -48.23 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.62 -41.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.6 -39.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.46 25.87 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.57 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.3 -55.82 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.24 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.14 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.46 87.13 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.33 -39.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.193 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.75 94.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.173 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.61 -39.02 82.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.53 72.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.33 93.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.46 -49.71 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 167.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.82 -41.82 71.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 178.696 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.88 52.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.716 1.611 . . . . 0.0 111.17 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.16 87.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.19 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.86 91.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.95 93.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.56 97.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.53 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -61.89 -41.46 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -73.99 -31.15 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.39 -44.87 95.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.51 92.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.8 95.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.24 71.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.98 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.22 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.25 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.1 89.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.84 -35.08 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 111.171 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.22 -40.04 96.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.248 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.47 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.6 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.421 HG21 HD12 ' F' ' 39' ' ' ILE . 53.3 t -64.87 -44.43 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -173.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.94 -45.35 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.24 -48.04 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.224 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.89 -47.99 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.237 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA2' HD21 ' R' ' 14' ' ' LEU . . . -51.61 -48.68 49.02 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.09 75.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.35 65.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.61 -35.76 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.25 87.95 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' E' ' 29' ' ' VAL . 38.2 mm -66.99 -41.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.46 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 44.9 t80 -62.88 -39.13 93.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.41 79.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.24 -37.22 86.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 171.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.222 175.05 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.806 0.336 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.19 -32.92 52.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.747 1.631 . . . . 0.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.1 -42.09 93.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.8 91.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.95 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.53 97.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.89 -36.62 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.34 97.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.466 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.94 -31.35 63.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.13 -44.96 94.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.83 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.71 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.243 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.24 71.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.43 -47.97 79.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.23 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.65 -42.33 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.12 89.66 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.87 -35.03 76.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.04 95.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.24 -40.07 96.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.38 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.97 -50.64 67.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' G' ' 39' ' ' ILE . 53.2 t -64.73 -44.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.06 -45.32 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.245 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.26 -48.01 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -48.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' S' ' 14' ' ' LEU . . . -51.64 -48.63 49.35 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.07 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.219 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.83 -52.44 65.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.14 88.67 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' W' ' 29' ' ' VAL . 38.4 mm -67.0 -41.39 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.4 97.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.59 84.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 44.7 t80 -62.73 -39.3 93.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 175.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.07 -35.36 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.206 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.15 86.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.39 75.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 171.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.36 -32.0 73.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.227 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 175.128 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.781 0.324 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.26 -32.92 52.88 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.716 1.611 . . . . 0.0 111.212 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.272 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.14 -42.16 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.86 91.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.9 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.58 97.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.45 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.03 -41.41 98.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.492 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -73.99 -31.29 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.81 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.85 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.28 -48.25 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.247 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.02 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.22 79.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.67 -42.27 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 173.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.07 90.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.75 -35.2 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.55 72.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.0 -50.63 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' H' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.211 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.96 -45.33 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.25 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.3 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.8 -48.09 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.227 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.59 -39.42 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.268 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' O' ' 14' ' ' LEU . . . -51.68 -48.62 49.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.2 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.206 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.83 -52.44 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.55 -35.76 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.14 88.19 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' G' ' 29' ' ' VAL . 38.5 mm -67.04 -41.34 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.75 -41.37 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.6 84.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 44.8 t80 -62.76 -39.18 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.11 -35.33 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.21 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 23.6 t80 -55.24 -47.42 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 171.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.41 -31.96 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.251 175.049 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.29 -32.85 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.68 1.586 . . . . 0.0 111.207 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.24 87.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.26 94.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.91 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.293 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.51 97.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.51 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.84 -41.48 97.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.49 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.7 mt -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.22 -44.92 94.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.248 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.49 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.71 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.36 -48.17 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -47.97 79.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.56 -35.24 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.66 -42.34 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.37 -44.09 89.82 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.8 -35.14 76.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.174 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.21 -40.06 96.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.4 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.251 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.62 67.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' I' ' 39' ' ' ILE . 53.4 t -64.79 -44.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -173.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.07 -45.37 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.21 -48.08 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.83 -48.01 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' Y' ' 14' ' ' LEU . . . -51.69 -48.55 49.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.15 74.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.94 -52.27 65.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.16 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.72 -35.67 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.24 88.06 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Y' ' 29' ' ' VAL . 38.3 mm -67.01 -41.29 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 111.237 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.91 -41.31 97.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.54 84.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 44.7 t80 -62.79 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.29 -35.23 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.16 86.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 23.6 t80 -55.3 -47.36 75.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 171.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.48 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 175.027 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.25 -32.84 52.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.724 1.616 . . . . 0.0 111.221 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.07 -42.13 93.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.76 91.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.97 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.53 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.86 -36.61 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' LEU . . . . . 0.474 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.6 mt -73.94 -31.28 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.52 92.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.67 -46.71 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.81 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.21 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.34 -48.06 79.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.13 79.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.24 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.0 90.23 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.94 -35.02 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.162 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.07 95.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.23 -39.99 96.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.42 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.92 -50.62 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' A' ' 39' ' ' ILE . 53.4 t -64.86 -44.33 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.43 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.17 -48.0 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.87 -48.07 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.62 -39.38 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' V' ' 14' ' ' LEU . . . -51.68 -48.63 49.54 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.07 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.42 65.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -66.52 -35.79 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -43.27 87.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Z' ' 29' ' ' VAL . 38.5 mm -66.89 -41.42 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.77 -41.31 97.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.22 -36.59 84.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 44.8 t80 -62.83 -39.1 93.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.33 79.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.25 86.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 23.6 t80 -55.28 -47.35 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.47 -31.87 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 175.04 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.24 -32.92 52.65 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.262 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.17 87.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.12 -42.12 94.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.85 91.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.04 93.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.6 96.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.236 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.43 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.06 -41.33 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -73.93 -31.3 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.13 -45.02 94.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 172.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.69 -46.72 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.33 -48.31 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.33 -48.03 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.52 -35.24 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.7 -42.26 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.76 -35.06 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 111.252 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.31 -40.05 96.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.42 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.54 68.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' B' ' 39' ' ' ILE . 53.3 t -64.82 -44.49 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.93 -45.36 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.206 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.28 -47.97 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.83 -48.07 88.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.67 -39.4 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' F' ' 14' ' ' LEU . . . -51.65 -48.61 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.21 -46.02 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.34 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.64 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.25 88.02 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 29' ' ' VAL . 38.4 mm -67.0 -41.34 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.32 97.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.19 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 44.6 t80 -62.81 -39.14 93.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.274 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.22 -35.26 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.247 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 23.7 t80 -55.34 -47.34 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 171.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.48 -31.91 73.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 175.094 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.86 52.62 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.705 1.604 . . . . 0.0 111.225 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -47.17 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.14 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.8 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.55 97.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.251 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.59 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.83 -41.47 97.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -73.96 -31.32 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.21 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.2 -44.88 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.49 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.63 -46.82 88.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.8 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.32 -48.24 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.11 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.45 -44.07 90.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -68.82 -35.14 76.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.01 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.247 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.28 -40.01 96.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.47 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.62 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' C' ' 39' ' ' ILE . 53.4 t -64.84 -44.33 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 -173.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.04 -45.38 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.06 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.07 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.57 -39.45 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' GLY . . . . . 0.48 ' HA2' HD21 ' X' ' 14' ' ' LEU . . . -51.66 -48.68 49.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.11 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.81 -52.42 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.24 88.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' B' ' 29' ' ' VAL . 38.3 mm -66.92 -41.34 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.16 -36.55 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 44.9 t80 -62.8 -39.17 93.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.17 -35.29 79.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.14 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 23.4 t80 -55.35 -47.35 75.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 171.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.44 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 175.049 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.33 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.32 -32.81 53.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.626 1.551 . . . . 0.0 111.197 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.23 87.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.25 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.237 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.43 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.208 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.9 mt -73.9 -31.31 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.258 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.26 -44.87 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 172.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.5 92.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.69 -46.8 88.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.72 95.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.233 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -54.38 -48.24 71.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.65 -35.14 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.64 -42.36 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.23 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -43.98 90.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.05 95.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.27 -39.98 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.207 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.45 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.05 -50.58 67.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' D' ' 39' ' ' ILE . 53.2 t -64.78 -44.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -173.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.21 -47.98 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.1 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.48 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' H' ' 14' ' ' LEU . . . -51.65 -48.63 49.38 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.1 75.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.218 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.28 65.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.276 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.68 -35.73 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.24 87.9 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' C' ' 29' ' ' VAL . 38.5 mm -66.97 -41.34 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.173 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.89 -41.3 97.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.55 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 45.0 t80 -62.78 -39.15 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.27 -35.27 79.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.25 86.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.276 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 23.8 t80 -55.27 -47.32 75.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 171.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.87 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 175.092 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.738 0.304 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.33 -32.8 53.0 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.564 . . . . 0.0 111.209 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.22 87.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.0 -42.21 93.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.215 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.78 91.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.05 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.64 96.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.77 -36.56 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.91 -41.4 97.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.198 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.93 -31.32 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.85 94.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.59 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.6 -46.83 88.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.81 95.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.38 -48.15 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -48.06 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.64 -35.2 79.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.62 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.02 90.22 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.8 -35.16 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.13 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.16 -40.08 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.41 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.63 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.96 -45.43 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.93 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.83 -48.04 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 34' ' ' GLY . . . . . 0.49 ' HA2' HD21 ' D' ' 14' ' ' LEU . . . -51.63 -48.63 49.25 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.17 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 111.22 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.84 -52.39 65.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.72 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.22 88.01 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' D' ' 29' ' ' VAL . 38.3 mm -67.0 -41.32 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.205 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.23 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.61 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 44.9 t80 -62.77 -39.15 93.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.21 -35.31 79.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.17 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 23.4 t80 -55.3 -47.33 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 171.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.46 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 175.067 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.29 -32.84 52.87 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.663 1.576 . . . . 0.0 111.153 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.15 87.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.84 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.02 93.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.54 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.84 -36.56 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.181 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.38 97.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 14' ' ' LEU . . . . . 0.483 HD21 ' HA2' ' X' ' 34' ' ' GLY . 93.5 mt -74.01 -31.32 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.21 -44.91 94.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.51 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.252 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.69 -46.83 88.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.83 95.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.42 -48.16 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.47 -48.05 79.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.5 -35.19 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.8 -42.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.42 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.231 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.28 -40.0 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.92 -43.37 73.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.64 67.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' O' ' 39' ' ' ILE . 53.2 t -64.86 -44.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -173.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.1 -45.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.29 -48.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.58 -39.52 82.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.61 -48.62 49.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.06 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.95 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.198 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -43.22 88.31 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.0 -41.41 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.188 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.27 97.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.213 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.27 -36.45 84.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 44.8 t80 -62.84 -39.11 93.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.3 -35.23 79.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.16 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.265 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.31 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.84 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.688 1.592 . . . . 0.0 111.208 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.14 -42.11 94.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.97 93.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.46 97.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.96 -36.51 72.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.41 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' T' ' 34' ' ' GLY . 93.5 mt -74.0 -31.22 62.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.31 -44.86 95.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 172.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.61 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.56 -46.82 88.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.75 95.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.36 -48.19 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.238 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.06 79.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.57 -35.22 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -175.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.71 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.16 89.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.79 -35.09 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.201 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.02 96.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.44 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.59 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 29' ' ' VAL . . . . . 0.423 HG21 HD12 ' P' ' 39' ' ' ILE . 53.3 t -64.89 -44.37 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -173.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.41 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.01 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.88 -47.95 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.237 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.62 49.86 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.11 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.221 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.241 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.54 -35.71 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.26 88.17 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.92 -41.39 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.239 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.41 97.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.16 -36.51 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 44.9 t80 -62.78 -39.2 93.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.267 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.07 -35.37 79.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.17 86.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.32 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 171.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.44 -31.97 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 175.094 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.31 -32.81 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.727 1.618 . . . . 0.0 111.208 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.26 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.22 93.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.86 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.98 93.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -60.64 -43.54 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.62 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.44 97.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.232 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 14' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' U' ' 34' ' ' GLY . 93.6 mt -73.97 -31.26 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.28 -44.85 94.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.53 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.7 -46.78 89.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.207 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.3 -48.25 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.04 79.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.63 -35.18 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.76 -42.2 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.39 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.26 -40.01 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.44 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.57 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Q' ' 39' ' ' ILE . 53.4 t -64.93 -44.29 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -173.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.02 -45.34 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.233 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.94 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.267 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.91 -47.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.267 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.69 -39.39 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.11 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.234 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.85 -52.36 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.34 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.03 -41.26 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.232 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.15 -36.53 84.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 44.9 t80 -62.85 -39.18 93.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.189 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.35 79.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.23 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 23.8 t80 -55.35 -47.25 76.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.54 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.038 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.78 0.324 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -32.82 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.657 1.572 . . . . 0.0 111.227 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.21 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.241 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.86 91.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.96 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.85 -36.52 72.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.232 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.41 97.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' V' ' 34' ' ' GLY . 93.7 mt -74.0 -31.29 62.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.9 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.53 92.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.69 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.34 -48.17 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.264 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.01 79.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.12 79.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.76 -42.24 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 173.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -43.99 90.4 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.86 -35.13 76.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.29 -39.96 96.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.45 73.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.64 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' R' ' 39' ' ' ILE . 53.5 t -64.91 -44.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -173.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.04 -45.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.192 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.3 -47.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.96 -48.05 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.63 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.75 -48.51 50.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.09 75.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.225 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 99.7 m -56.9 -52.32 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.66 -35.74 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.26 87.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.92 -41.36 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.276 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.23 -36.5 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.2 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.27 79.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.13 86.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 23.5 t80 -55.34 -47.35 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.47 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 175.064 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.746 0.308 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.25 -32.95 52.96 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.732 1.621 . . . . 0.0 111.148 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.13 -42.07 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.79 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.94 92.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.57 97.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.85 -36.59 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.89 -41.42 97.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' W' ' 34' ' ' GLY . 93.6 mt -73.95 -31.39 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.98 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.61 92.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.83 88.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.82 95.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.36 -48.25 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.37 -48.04 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.23 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -43.96 90.52 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.19 -40.03 96.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.96 -50.67 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' S' ' 39' ' ' ILE . 53.3 t -64.79 -44.38 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -173.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.28 -48.0 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.86 -48.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.53 -39.57 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.17 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.81 -52.34 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.7 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.96 -41.39 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.323 . . . . 0.0 111.155 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.21 -36.52 84.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.273 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 44.7 t80 -62.74 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.221 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.2 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.45 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 23.7 t80 -55.33 -47.37 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 171.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.46 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 175.036 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.22 -32.96 52.69 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.713 1.609 . . . . 0.0 111.138 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.12 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.2 -42.11 94.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.77 91.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.251 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.06 93.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.5 97.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.255 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.98 -36.48 72.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.188 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.0 -41.32 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -74.09 -31.22 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.26 -44.89 94.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.71 -46.73 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -44.79 95.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.46 -48.15 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.61 -35.23 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.69 -42.21 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.37 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.07 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.19 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.99 95.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.245 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.29 -39.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.66 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' T' ' 39' ' ' ILE . 53.1 t -64.76 -44.45 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.02 -45.31 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.25 -47.99 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -48.02 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.64 -48.59 49.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.11 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.89 -52.3 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.67 -35.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.14 -43.17 88.76 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' J' ' 29' ' ' VAL . 38.3 mm -66.99 -41.35 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.193 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.29 97.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.2 -36.5 84.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.24 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.05 -35.43 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 23.6 t80 -55.34 -47.31 75.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 171.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.42 -31.96 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 175.07 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.21 -32.96 52.55 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.683 1.589 . . . . 0.0 111.241 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.21 87.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.08 -42.2 94.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.84 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.93 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.53 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.84 -36.55 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.03 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' Y' ' 34' ' ' GLY . 93.5 mt -73.98 -31.34 62.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.24 -44.87 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.39 -48.17 71.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.06 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.22 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.24 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.14 89.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.79 -35.1 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.09 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.207 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.28 -40.01 96.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.03 -50.56 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' U' ' 39' ' ' ILE . 53.2 t -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.245 -173.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.04 -45.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.21 -48.08 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.85 -48.0 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.67 -39.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.65 49.41 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.23 88.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' ILE . . . . . 0.423 HD12 HG21 ' K' ' 29' ' ' VAL . 38.5 mm -66.93 -41.39 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.31 97.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.39 -36.39 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 44.7 t80 -62.83 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -35.37 79.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.19 86.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.41 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 171.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.39 -31.92 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 175.057 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.843 0.354 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.29 -32.88 53.05 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.677 1.585 . . . . 0.0 111.154 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.0 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.6 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.8 -36.55 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.215 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' Z' ' 34' ' ' GLY . 93.7 mt -73.97 -31.26 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.87 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.46 91.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.62 -46.85 88.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.83 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.44 -48.13 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.52 -47.94 79.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.6 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -175.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.05 90.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.06 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.143 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.97 95.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.238 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.07 96.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.43 73.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.187 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.96 -50.61 67.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' V' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.31 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -48.01 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.83 -48.06 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.52 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.53 50.02 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.12 74.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.753 0.311 . . . . 0.0 111.156 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.34 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.81 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.2 88.04 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' L' ' 29' ' ' VAL . 38.3 mm -67.0 -41.33 87.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.25 -36.48 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 45.0 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.16 -35.35 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.11 86.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 24.0 t80 -55.33 -47.33 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 171.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.47 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.253 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.281 174.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.19 -32.86 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.661 1.574 . . . . 0.0 111.309 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.24 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.84 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.96 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.55 96.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.48 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -61.98 -41.36 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 14' ' ' LEU . . . . . 0.482 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -74.01 -31.33 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.17 -45.0 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.77 95.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.204 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.16 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.64 -42.26 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.96 90.73 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.88 -35.16 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.15 94.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -63.32 -39.96 96.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.38 73.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.55 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' W' ' 39' ' ' ILE . 53.4 t -64.8 -44.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -45.37 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.08 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.6 -39.56 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.58 -48.55 49.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.88 -52.34 65.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.66 -35.76 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.91 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 39' ' ' ILE . . . . . 0.418 HD12 HG21 ' M' ' 29' ' ' VAL . 38.4 mm -66.87 -41.39 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.9 -41.23 97.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.53 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 42' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.37 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 45' ' ' PHE . . . . . 0.436 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 24.1 t80 -55.19 -47.46 75.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 171.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.43 -31.9 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 175.07 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.11 -32.88 51.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.629 1.552 . . . . 0.0 111.292 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.22 87.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.02 -42.13 93.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.263 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.84 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.89 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.64 -43.48 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.221 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.9 -36.51 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.49 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 14' ' ' LEU . . . . . 0.469 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.97 -31.32 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.9 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.65 92.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.64 -46.82 88.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.69 95.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.49 -48.03 79.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.19 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.78 -42.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.98 90.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.88 -35.09 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.04 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.2 -40.04 96.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.4 73.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 29' ' ' VAL . . . . . 0.427 HG21 HD12 ' X' ' 39' ' ' ILE . 53.4 t -64.81 -44.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.05 -45.28 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.33 -47.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.91 -48.03 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.47 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.19 -46.11 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.82 -52.38 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.62 -35.67 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.13 88.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' N' ' 29' ' ' VAL . 38.5 mm -66.96 -41.34 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.808 0.337 . . . . 0.0 111.267 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.28 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 44.8 t80 -62.72 -39.21 93.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.228 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.35 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.209 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.38 -37.09 86.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 23.8 t80 -55.42 -47.29 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.5 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 175.011 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.3 -32.84 52.93 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.71 1.606 . . . . 0.0 111.169 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.25 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.9 91.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.95 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.219 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.5 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.59 72.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.87 -41.48 97.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.6 mt -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.51 91.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.59 -46.85 88.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.82 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.33 -48.19 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.47 -48.08 79.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.18 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.19 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -44.04 90.52 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -68.78 -35.13 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 111.265 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.01 95.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -40.03 96.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.75 -43.43 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.63 67.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' Y' ' 39' ' ' ILE . 53.4 t -64.78 -44.44 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.0 -45.34 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.22 -48.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.76 -48.08 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.282 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.51 -39.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' K' ' 14' ' ' LEU . . . -51.64 -48.61 49.35 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.0 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.277 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.93 -52.32 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.21 88.03 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' O' ' 29' ' ' VAL . 38.2 mm -67.03 -41.32 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.34 97.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.22 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 45.0 t80 -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.4 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 23.4 t80 -55.26 -47.44 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 171.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.43 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 175.09 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.25 -32.93 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.719 1.613 . . . . 0.0 111.126 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.19 87.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.2 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.81 91.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.04 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.41 97.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.58 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.85 -41.49 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 14' ' ' LEU . . . . . 0.489 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.6 mt -73.97 -31.23 62.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.88 95.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 172.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.41 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.266 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.7 -46.83 88.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.43 -48.16 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.07 79.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.63 -35.22 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.209 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.09 90.04 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.83 -35.13 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.179 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.97 95.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.22 -40.06 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.63 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Z' ' 39' ' ' ILE . 53.3 t -64.78 -44.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -173.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.95 -45.38 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.216 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.24 -48.0 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -47.98 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.72 -39.36 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 34' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' L' ' 14' ' ' LEU . . . -51.69 -48.62 49.68 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.08 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.211 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.4 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.06 88.61 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' P' ' 29' ' ' VAL . 38.2 mm -67.06 -41.32 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.17 -36.53 84.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 44.9 t80 -62.94 -39.03 93.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.241 175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.16 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 23.8 t80 -55.3 -47.33 75.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -65.51 -31.85 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 175.095 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.22 -32.86 52.24 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.652 1.568 . . . . 0.0 111.246 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.11 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.16 -42.06 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.9 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.97 93.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.57 97.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.4 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.7 mt -74.0 -31.3 62.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.86 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.261 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.87 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.34 -48.2 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.05 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.15 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.69 -42.22 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.244 173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.06 90.33 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.77 -35.16 76.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.05 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -39.91 95.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.36 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.72 67.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 29' ' ' VAL . . . . . 0.417 HG21 HD12 ' A' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.02 -45.32 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.79 -48.08 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 34' ' ' GLY . . . . . 0.479 ' HA2' HD21 ' M' ' 14' ' ' LEU . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.33 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.58 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.15 -43.13 88.81 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 39' ' ' ILE . . . . . 0.425 HD12 HG21 ' Q' ' 29' ' ' VAL . 38.3 mm -67.01 -41.35 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.188 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 45.1 t80 -62.85 -39.15 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 175.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.44 79.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.25 -37.2 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 175.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 23.4 t80 -55.39 -47.3 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.45 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.24 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.028 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.16 -32.85 51.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.632 1.555 . . . . 0.0 111.283 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.13 -42.08 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.87 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.03 93.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.55 -43.54 97.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.51 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.87 -41.45 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -74.03 -31.25 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.88 95.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.68 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.68 95.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.54 -48.14 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.06 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.71 -42.29 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.46 -44.04 90.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.82 -35.1 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.0 95.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.218 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -40.01 96.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.54 73.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.58 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' B' ' 39' ' ' ILE . 53.5 t -64.89 -44.35 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -173.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.31 -47.99 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.88 -48.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.57 -39.51 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' N' ' 14' ' ' LEU . . . -51.72 -48.56 49.98 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.1 75.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.217 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.92 -52.34 65.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.67 -35.66 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.19 88.25 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' R' ' 29' ' ' VAL . 38.3 mm -66.96 -41.42 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 111.211 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.21 97.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.252 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.56 84.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 44.7 t80 -62.75 -39.24 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.32 79.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.266 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.09 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.37 75.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 171.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 62.8 p -65.4 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 175.083 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.28 -32.88 52.91 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.698 1.599 . . . . 0.0 111.152 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.3 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.77 91.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.02 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.53 -43.58 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.9 -36.47 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.02 -41.34 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -74.06 -31.22 62.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.28 -44.85 94.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.51 91.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.85 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.31 -48.24 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.26 79.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.1 90.18 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.74 -35.16 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.179 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.01 96.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.246 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.75 67.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' C' ' 39' ' ' ILE . 53.3 t -64.74 -44.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.0 -45.3 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.267 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -48.12 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.7 -39.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 34' ' ' GLY . . . . . 0.483 ' HA2' HD21 ' J' ' 14' ' ' LEU . . . -51.75 -48.58 50.15 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.19 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 99.9 m -56.97 -52.3 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.66 -35.68 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.12 88.63 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 39' ' ' ILE . . . . . 0.427 HD12 HG21 ' S' ' 29' ' ' VAL . 38.4 mm -66.98 -41.36 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 111.197 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.4 97.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -36.5 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 45.0 t80 -62.8 -39.14 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.218 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.32 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.16 86.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 23.8 t80 -55.34 -47.35 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.38 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 175.091 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.32 -32.89 53.35 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.7 1.6 . . . . 0.0 111.16 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.21 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.19 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.53 97.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.56 72.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.89 -41.41 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.5 mt -74.08 -31.17 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.99 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.58 92.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.85 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.74 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.43 -48.14 72.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.13 79.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.67 -42.29 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.05 90.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.73 -35.19 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 111.235 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.03 95.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.06 96.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.39 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.58 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' D' ' 39' ' ' ILE . 53.3 t -64.82 -44.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -173.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.99 -45.26 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.35 -47.95 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -48.04 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.67 -39.46 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' P' ' 14' ' ' LEU . . . -51.63 -48.64 49.23 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.87 -52.35 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.6 -35.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -43.28 87.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' T' ' 29' ' ' VAL . 38.7 mm -66.92 -41.41 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.176 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.26 97.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.25 -36.47 84.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 44.9 t80 -62.89 -39.12 93.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.29 79.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.22 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 23.7 t80 -55.23 -47.35 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.264 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.38 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.216 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 175.158 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.778 0.323 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.87 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.664 1.576 . . . . 0.0 111.18 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.08 -42.14 93.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.75 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.6 97.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -41.44 97.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.6 mt -73.95 -31.19 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.97 94.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.55 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.59 -46.86 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.72 95.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.48 -48.13 72.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.24 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.71 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.35 -44.14 89.76 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.81 -35.07 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.03 95.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.33 -40.01 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.42 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.6 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.84 -44.37 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 -173.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.91 -45.45 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.21 -47.96 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.261 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -48.06 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' Q' ' 14' ' ' LEU . . . -51.69 -48.57 49.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.24 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.91 -52.32 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.22 88.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' U' ' 29' ' ' VAL . 38.4 mm -66.96 -41.37 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 42' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.32 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.18 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 45' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 23.9 t80 -55.27 -47.4 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 171.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -65.4 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.247 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 175.048 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.789 0.328 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.3 -32.87 53.05 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.674 1.583 . . . . 0.0 111.186 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.31 87.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.218 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.17 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.87 91.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.94 93.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.54 97.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.93 -36.53 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.85 -41.45 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.04 -31.28 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.52 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.25 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.41 -48.18 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.17 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.72 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.03 90.34 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.79 -35.11 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.224 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.01 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -39.93 95.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.44 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.77 -44.38 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.0 -45.39 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -47.97 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.85 -48.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.62 -39.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -48.56 50.42 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.88 -52.29 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -43.2 88.5 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 38.2 mm -66.96 -41.33 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.698 0.285 . . . . 0.0 111.155 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.28 97.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.84 -39.25 93.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.34 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.3 -37.19 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.32 -47.31 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.41 -31.99 73.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 175.112 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.31 -32.81 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.68 1.587 . . . . 0.0 111.197 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.14 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.06 -42.15 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.81 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.47 -43.55 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.284 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.91 -36.49 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.95 -41.42 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.95 -31.36 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.21 -44.91 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.83 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.73 95.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.4 -48.17 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -48.1 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.17 79.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.78 -42.18 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.57 -43.95 90.88 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.26 -39.99 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.44 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.66 67.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.82 -44.37 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.94 -45.4 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.21 -48.04 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 -177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.57 -39.49 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.73 -48.56 50.03 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.14 75.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.38 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.15 88.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.96 -41.37 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.202 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.92 -41.25 97.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.22 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.67 -39.28 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.223 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.29 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.211 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.16 86.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -47.26 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 171.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.52 -32.0 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.114 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 175.1 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.97 53.05 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.18 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.02 -42.23 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.22 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.92 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.64 97.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.81 -36.54 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.233 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.88 -41.4 97.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.241 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.38 62.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.94 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.48 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.6 -46.9 88.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.87 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.3 -48.23 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.1 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.66 -35.12 79.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.66 -42.25 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.03 90.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -34.98 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.0 95.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.51 72.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.59 67.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.84 -44.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.03 -45.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.18 -48.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.94 -47.95 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.64 -39.48 82.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.69 -48.56 49.83 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.09 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 111.151 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.96 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.37 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.11 -41.23 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 111.171 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.33 97.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.253 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.17 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.75 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.245 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.36 79.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.32 -47.34 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.54 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 175.065 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.85 52.43 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.744 1.629 . . . . 0.0 111.24 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.25 87.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.15 94.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.51 -43.57 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.82 -36.56 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.45 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.98 -31.32 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.9 94.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.176 172.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.59 92.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.58 -46.83 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.81 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.36 -48.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.272 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.96 79.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.27 79.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -175.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.63 -42.19 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.254 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.02 90.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.23 -40.08 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.55 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.6 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.8 -44.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.09 -45.29 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.81 -48.04 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.63 -48.61 49.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.13 75.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.329 . . . . 0.0 111.152 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 99.1 m -56.91 -52.35 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.206 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.18 88.4 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.08 -41.35 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.13 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.32 97.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.209 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.25 -36.49 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.13 -35.29 79.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.42 -37.12 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.26 -47.38 75.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.48 -31.85 73.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.172 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 175.079 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.89 52.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.712 1.608 . . . . 0.0 111.145 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.86 91.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.95 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.54 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.47 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.29 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.19 -44.92 94.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.24 172.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.5 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.67 -46.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.85 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.35 -48.24 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.42 -48.02 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.23 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.6 -42.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.42 -44.06 90.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.84 -35.14 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.165 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.03 95.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.0 96.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.08 -50.55 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -44.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.34 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.235 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.28 -47.99 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.88 -48.0 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.265 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.58 -39.48 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -48.6 50.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.06 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.285 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.57 -35.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.21 88.32 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.99 -41.28 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.26 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.53 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.82 -39.17 93.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.35 79.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.42 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.188 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 175.128 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.752 0.31 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.26 -32.92 52.92 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 121.683 1.589 . . . . 0.0 111.173 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.1 93.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.296 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.88 91.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.46 -43.62 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.253 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.4 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.0 -31.32 62.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.17 -44.95 94.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.6 -46.85 88.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.73 95.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.99 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.77 -42.2 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.92 90.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -35.1 76.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.107 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.09 95.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.178 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.15 -40.05 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.255 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.48 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.04 -50.59 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.89 -44.28 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -173.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.42 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.97 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.9 -47.95 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.5 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.19 75.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.169 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.87 -52.39 65.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.6 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.14 88.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.4 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.13 -36.53 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.84 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.39 79.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.15 86.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.37 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.46 -31.92 73.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 175.042 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.23 -32.93 52.67 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.745 1.63 . . . . 0.0 111.201 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.15 87.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.09 -42.13 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.75 91.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.06 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.58 96.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.88 -36.48 72.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.95 -41.39 97.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.24 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.91 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.82 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 94.1 m -54.32 -48.23 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.262 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -47.99 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.264 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.71 -35.12 79.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.8 -42.17 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.11 89.93 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.07 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.01 95.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.23 -40.08 96.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.45 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.61 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.79 -44.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.9 -45.45 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.22 -48.03 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -47.98 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.24 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.57 -39.47 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.91 -52.37 65.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.68 -35.69 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.2 88.2 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.01 -41.42 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 111.143 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.21 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.36 -36.47 84.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.81 -39.21 93.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.34 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.24 86.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.26 -47.45 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.2 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.047 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.25 -32.9 52.73 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.694 1.596 . . . . 0.0 111.189 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.22 87.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.19 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.17 -42.08 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.82 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.6 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.88 -41.45 97.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.94 -31.25 62.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.9 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.19 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.82 88.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.85 95.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.226 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.37 -48.14 71.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.268 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.05 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.3 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.64 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.01 90.33 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.81 -35.17 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.14 94.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -39.99 96.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.1 -50.52 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.86 -44.34 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.32 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.32 -48.01 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.88 -48.03 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.55 -39.49 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.7 -48.55 49.92 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.15 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.91 -52.32 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.72 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.18 88.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.12 -41.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.704 0.288 . . . . 0.0 111.075 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.163 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.16 -36.59 84.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.84 -39.1 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 175.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 62.2 p -65.49 -31.82 73.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.204 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 175.067 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.26 -32.82 52.43 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.66 1.574 . . . . 0.0 111.271 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -47.13 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.2 -42.08 94.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.82 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.52 97.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.94 -36.51 72.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.24 -44.92 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 172.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.57 92.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.89 88.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.77 95.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.38 -48.24 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.46 -48.08 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.54 -35.21 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.7 -42.23 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.234 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.36 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.89 -35.05 76.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.08 94.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.247 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.04 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.53 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.194 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.6 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.82 -44.4 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.224 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.99 -45.39 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.0 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.83 -48.16 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.53 -39.45 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.6 49.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.1 75.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.234 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.24 88.05 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.36 87.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.33 97.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.48 84.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.92 -39.09 93.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.35 -47.36 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.46 -31.89 73.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 175.062 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.51 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.69 62.27 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.04 -0.4 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 111.245 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.4 116.19 64.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.21 -31.51 55.87 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.691 1.594 . . . . 0.0 111.151 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.76 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.41 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.263 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.08 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.27 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.41 -38.1 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.33 -41.17 98.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.55 -33.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.41 97.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.38 90.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.48 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -55.59 -45.17 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.52 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.43 -43.77 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 168.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.13 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.84 -45.03 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.72 -49.47 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.84 -28.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' R' ' 10' ' ' ALA . 22.4 t -64.74 -43.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.33 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.2 -51.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -65.0 -42.35 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.01 8.6 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.01 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.223 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.98 -54.11 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -48.08 75.03 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.57 -41.19 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.59 76.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -36.07 83.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 53.1 t80 -64.99 -36.98 86.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 3.6 t80 -56.48 -50.01 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 172.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -64.91 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.05 59.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 172.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.11 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.38 0.53 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.196 179.325 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.739 0.304 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.51 120.45 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.74 -9.64 62.19 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.05 -0.48 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -86.34 116.33 65.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.29 -31.46 56.59 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.752 1.635 . . . . 0.0 111.188 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.66 81.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.44 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.3 -45.36 88.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.99 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.11 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -62.35 -41.2 98.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.51 -33.23 70.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.41 90.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.77 -48.42 81.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.24 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.71 -48.05 82.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.54 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.32 -43.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.6 82.96 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.56 -43.01 95.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.228 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.16 89.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TRP . . . . . 0.401 ' O ' HG23 ' B' ' 30' ' ' VAL . 23.7 m95 -67.91 -45.01 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.82 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.266 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.48 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.241 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' B' ' 10' ' ' ALA . 22.4 t -64.72 -43.43 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.52 -43.9 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -51.74 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.236 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.04 -42.37 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.06 8.44 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.95 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.294 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.0 -54.14 49.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.47 -32.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.14 75.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.4 -41.25 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.251 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.01 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 53.2 t80 -64.94 -37.01 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.91 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.285 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.208 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 3.7 t80 -56.48 -50.04 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 73.7 p -64.8 -29.73 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.33 -49.01 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.06 -28.19 69.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.42 0.64 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.265 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.5 120.42 11.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.62 62.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.13 -0.45 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.166 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.13 64.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.21 -31.51 55.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.69 1.593 . . . . 0.0 111.207 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.67 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.37 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.93 96.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.214 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.39 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.09 -50.84 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.32 -38.17 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.33 -41.14 98.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.22 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.155 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.51 97.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.08 -44.03 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.57 -45.17 77.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.224 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.37 -43.87 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 168.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.6 -41.57 82.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.61 -43.0 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.76 -45.15 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.63 -49.46 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.75 -43.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.3 -51.73 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.98 -42.38 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.99 8.7 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.05 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.07 -54.06 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.69 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -47.99 76.96 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.6 76.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.36 -35.89 82.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 53.3 t80 -65.0 -37.01 86.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.19 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.79 -35.86 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 3.6 t80 -56.63 -49.95 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.2 p -64.87 -29.64 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.27 -49.1 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.99 -28.19 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.43 0.68 51.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.361 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.6 120.45 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 -9.67 62.23 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.1 -0.45 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.355 . . . . 0.0 111.177 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.28 116.17 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.22 -31.53 56.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.713 1.609 . . . . 0.0 111.131 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.68 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.204 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.4 79.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.08 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.28 -45.32 88.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.14 -50.75 72.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.29 -41.17 98.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.52 -33.29 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.48 97.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.39 90.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.98 -44.12 97.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.46 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.55 -48.15 81.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.55 60.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.31 -43.9 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 168.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.49 82.53 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.62 -43.07 94.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 111.158 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.22 89.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.82 -45.04 75.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -43.9 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.59 -49.59 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.82 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' U' ' 10' ' ' ALA . 22.9 t -64.64 -43.48 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.278 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.37 -44.01 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -51.73 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.07 -42.31 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.43 -57.03 8.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -60.01 -54.06 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.238 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.66 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.1 75.46 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.52 -41.09 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.267 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.68 -43.58 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.26 -36.01 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.211 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 53.5 t80 -64.92 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.9 82.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.97 76.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 3.7 t80 -56.51 -50.06 72.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.207 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -64.83 -29.81 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.129 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.25 -49.05 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.11 -28.17 69.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.163 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.4 0.63 51.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.601 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 179.312 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.332 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.57 120.55 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.61 -9.63 62.46 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.02 -0.55 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.199 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.18 116.18 64.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -31.59 55.19 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.824 1.683 . . . . 0.0 111.256 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.74 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.229 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.35 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.26 -45.29 88.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.17 -50.8 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.22 86.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.185 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.28 -41.17 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.58 -33.2 70.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.09 -41.5 97.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.41 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.02 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.45 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.56 -45.18 77.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.57 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.3 -43.89 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 168.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.5 82.57 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.07 94.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.95 -45.02 75.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.02 76.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.6 62.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.89 -28.75 34.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.273 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' E' ' 10' ' ' ALA . 22.8 t -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 172.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -51.78 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.06 -42.34 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.1 8.45 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.05 -54.0 51.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.54 -32.67 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.56 -41.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.57 -43.66 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.28 -36.01 82.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 53.1 t80 -64.94 -36.99 86.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.74 -35.97 82.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.93 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.0 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 172.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.84 -29.74 70.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.37 -48.95 59.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.16 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.68 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.583 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.49 120.48 11.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.62 -9.62 62.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.51 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.156 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.24 65.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.283 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.24 -31.46 55.93 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.733 1.622 . . . . 0.0 111.191 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.39 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.08 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.22 -45.3 88.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.1 -50.83 72.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.44 -38.18 86.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.22 -41.19 98.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.55 -33.31 70.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.96 -41.58 97.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.37 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.59 -45.11 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.228 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.2 81.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.64 -25.6 60.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 -173.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.33 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.53 83.12 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.277 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.12 89.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.08 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.89 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.49 62.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.93 -28.78 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' W' ' 10' ' ' ALA . 22.8 t -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -51.81 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.1 -42.26 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.0 8.58 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.11 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 111.143 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.03 -54.03 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.74 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.08 75.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.12 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.67 76.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.29 -35.9 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 52.9 t80 -65.03 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.272 173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.82 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.99 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.94 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 172.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 74.3 p -64.95 -29.65 70.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.36 -48.96 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.18 -28.07 69.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.62 51.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.595 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.243 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.53 120.43 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.66 62.25 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.96 -0.61 47.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 111.257 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.22 116.18 64.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.13 -31.62 55.62 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.7 1.6 . . . . 0.0 111.209 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.71 81.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.41 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.27 -45.26 88.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.16 -50.82 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.233 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.35 -41.17 98.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.51 -33.27 71.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.58 97.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.47 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.95 -44.18 97.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.36 -45.35 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.5 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -173.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.44 -43.81 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.48 82.66 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.08 95.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 111.252 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.7 -45.14 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.98 77.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.56 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.83 -28.81 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' G' ' 10' ' ' ALA . 22.5 t -64.74 -43.44 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.3 -51.72 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.11 -42.29 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.12 8.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.13 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 111.218 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -59.97 -54.05 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.26 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.64 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -47.96 77.27 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.61 -41.1 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.336 . . . . 0.0 111.192 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.71 -43.58 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 53.0 t80 -65.05 -36.88 85.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 173.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.88 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -33.99 76.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 3.6 t80 -56.59 -50.05 73.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.68 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.26 -49.08 59.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.17 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.17 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.7 51.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.199 -1.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.323 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.54 120.4 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 -9.67 62.24 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.06 -0.51 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.26 116.17 64.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.53 55.67 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.719 1.613 . . . . 0.0 111.214 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.225 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.45 79.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.04 96.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.36 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.08 -50.79 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.27 86.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.51 -33.29 71.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.1 -41.51 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.4 90.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.216 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.53 81.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.45 -45.25 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.05 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.51 60.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.73 -41.53 83.02 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 171.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -42.99 95.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 111.176 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.19 89.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.8 -45.06 75.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.88 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.264 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.72 -49.55 62.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.9 -28.7 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.79 -43.47 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.39 -43.91 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -51.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.93 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.01 8.59 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.11 73.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.241 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -60.03 -54.08 50.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.05 76.02 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.54 -41.18 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.242 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.52 76.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.37 -35.96 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 52.9 t80 -64.99 -36.92 85.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.23 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.92 82.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.98 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 3.7 t80 -56.54 -50.01 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.23 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.23 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.23 -49.09 59.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.02 -28.19 69.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.65 51.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.317 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.44 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.63 62.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.55 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.193 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.24 116.2 64.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.13 -31.61 55.53 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.681 1.587 . . . . 0.0 111.188 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.39 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.1 96.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.44 88.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.83 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.4 -38.18 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.25 98.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.49 97.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.96 -44.11 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.54 -45.2 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.11 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.32 -43.79 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.263 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.52 83.09 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.03 94.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.08 89.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.237 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.89 -45.04 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.196 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.0 76.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.232 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.68 -49.53 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.69 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' Z' ' 10' ' ' ALA . 22.5 t -64.8 -43.46 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 172.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.4 -43.92 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -51.93 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.92 -42.29 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.13 8.49 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.1 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 111.236 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -60.0 -54.03 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.72 30.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.98 76.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.12 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.56 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.23 -35.99 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 53.6 t80 -65.06 -36.92 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.168 173.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.99 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 3.6 t80 -56.6 -49.91 73.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 172.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.87 -29.77 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.24 -49.04 59.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 172.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.66 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 179.281 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.53 11.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.63 -9.65 62.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.09 -0.49 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.2 116.2 64.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.258 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.25 -31.5 56.25 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.738 1.626 . . . . 0.0 111.21 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.64 81.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.36 -42.32 79.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.04 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.218 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.33 88.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.11 85.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.63 -33.18 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.25 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.48 90.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.95 -44.19 97.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.45 81.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.28 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.55 -45.21 77.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.63 -48.1 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.78 -25.45 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.44 -43.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 168.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.53 82.99 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.09 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.234 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.58 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.88 -28.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 23.0 t -64.59 -43.52 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.33 -44.02 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -51.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.31 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.02 8.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.01 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.211 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -59.99 -54.15 49.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -175.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.59 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.17 75.12 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.43 -41.27 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.5 -43.7 75.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.98 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 53.2 t80 -65.02 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 173.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.12 77.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 3.6 t80 -56.44 -50.02 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 172.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 76.0 p -64.97 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.3 -49.05 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.05 -28.12 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.246 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.57 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.33 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.41 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.66 62.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.98 -0.47 47.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.17 64.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.27 -31.42 56.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.68 1.587 . . . . 0.0 111.177 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.3 -42.36 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.02 96.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' T' ' 30' ' ' VAL . . . -64.28 -45.3 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.86 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.1 85.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.32 -41.28 98.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.43 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.52 97.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.42 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.95 -44.15 97.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.55 -45.15 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.66 -48.07 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.71 -25.54 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.37 -43.82 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.57 82.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.51 -43.14 95.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.196 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.25 89.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.218 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.77 -45.12 75.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.92 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -28.87 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.7 -43.41 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.278 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.42 -44.0 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.24 -51.73 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.54 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.04 -54.07 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.45 -32.66 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -48.04 76.52 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.15 90.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.51 -43.74 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -35.92 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 53.0 t80 -65.15 -36.87 85.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.96 82.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.94 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 3.6 t80 -56.57 -50.03 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 172.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.87 -29.62 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -69.39 -49.03 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.13 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.64 51.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--O 1.199 -1.594 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 179.23 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.764 0.316 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.61 120.48 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.67 62.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.0 -0.55 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.31 116.21 64.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.17 -31.6 55.86 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.199 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.75 81.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.37 79.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.96 96.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' U' ' 30' ' ' VAL . . . -64.28 -45.29 88.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.78 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.38 -41.17 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.5 -33.23 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.41 90.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.212 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.43 -45.23 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.08 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.55 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.38 -43.79 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.56 82.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 171.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.08 94.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.26 89.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.69 -45.19 75.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.88 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.51 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.72 -43.43 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.97 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.2 -51.81 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.04 -42.32 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.05 8.55 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.09 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.239 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.94 -54.15 49.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.48 -32.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -47.98 76.6 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.08 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.174 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.6 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.24 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 53.5 t80 -65.0 -36.92 85.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.92 82.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.08 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.96 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 172.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -64.98 -29.68 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.28 -49.01 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.18 -28.13 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.39 0.64 51.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.241 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 179.287 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.72 0.295 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.45 120.46 11.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.64 -9.64 62.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.97 -0.56 47.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 111.203 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.22 65.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.12 -31.62 55.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.75 1.633 . . . . 0.0 111.159 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.65 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.32 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.205 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.37 88.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.11 -50.77 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.36 -38.12 85.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.34 -41.17 98.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.57 -33.16 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.19 -41.45 97.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.237 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.39 90.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.98 -44.15 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.41 -45.29 76.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.55 60.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.38 -43.88 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 168.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.52 82.65 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.15 94.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.75 -45.08 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.96 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.5 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.71 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.96 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.25 -51.7 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.14 -42.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.06 8.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.09 -54.04 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -175.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mm -74.53 -32.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.3 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.55 -41.08 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.747 0.308 . . . . 0.0 111.22 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.58 76.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.0 82.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 53.4 t80 -64.91 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 173.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.82 -35.98 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.98 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 75.9 p -64.99 -29.63 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.29 -49.0 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.09 -28.12 69.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.74 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.118 179.354 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.47 120.44 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.68 62.21 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.04 -0.56 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.217 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.29 116.2 64.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.24 -31.47 56.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.64 1.56 . . . . 0.0 111.184 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.76 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.38 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.97 96.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' W' ' 30' ' ' VAL . . . -64.28 -45.38 88.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.98 -50.86 71.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.19 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.21 -41.23 98.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.55 -33.23 70.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.181 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.5 97.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -44.06 97.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.229 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.48 81.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.37 -45.27 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.257 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.7 -48.06 82.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.56 60.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.173 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.3 -43.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.52 83.4 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.04 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.276 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.12 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.88 -45.0 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.89 77.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.45 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.72 -43.46 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.41 -43.92 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.241 174.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.3 -51.72 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.04 8.53 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.03 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -59.97 -54.15 49.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.221 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.65 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.08 75.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.48 -41.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.57 76.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.97 82.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 53.2 t80 -65.06 -36.91 85.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.97 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.1 72.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 72.6 p -64.81 -29.65 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.32 -48.97 59.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.16 -28.07 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.64 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.348 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.833 0.349 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.54 120.44 11.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.69 62.21 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.97 -0.61 47.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.18 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.22 64.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.19 -31.56 55.96 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.687 1.591 . . . . 0.0 111.234 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.82 81.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.44 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.01 96.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.233 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.41 88.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -50.84 72.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.38 -38.14 85.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.25 -41.3 98.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.46 -33.24 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.18 -41.44 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.04 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.48 -45.3 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.58 -48.14 81.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.69 -25.55 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.35 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.57 82.47 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.05 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.24 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.17 89.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.86 -45.08 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.96 77.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.57 -49.53 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.242 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.04 -28.71 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 t -64.71 -43.52 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 172.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.37 -43.96 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.27 -51.76 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.99 -42.38 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.03 8.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.05 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -60.04 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.51 -32.69 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -48.05 75.77 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -41.09 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.69 -43.52 76.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -36.03 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 52.9 t80 -64.96 -36.97 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.0 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.04 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.29 -49.0 59.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -28.13 69.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.59 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.293 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.44 120.43 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.62 62.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.04 -0.61 46.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.237 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.28 116.21 64.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.2 -31.48 55.63 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.653 1.569 . . . . 0.0 111.192 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.72 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.53 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.04 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' Y' ' 30' ' ' VAL . . . -64.26 -45.31 88.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.9 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.33 -38.19 86.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -62.28 -41.2 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.5 -33.33 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.08 -41.51 97.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.47 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.5 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.24 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.16 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.56 -25.7 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.24 -43.84 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.266 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.46 82.98 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.63 -43.08 94.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.09 89.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.82 -45.1 75.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.63 -43.97 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.27 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.62 -49.52 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.97 -28.76 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.229 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.67 -43.53 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.41 -43.91 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.76 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.19 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.13 -42.24 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.224 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.55 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.01 74.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -60.03 -54.07 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.229 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.56 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.174 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.57 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.99 82.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 53.3 t80 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 173.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.95 82.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 3.7 t80 -56.52 -50.07 72.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.8 -29.71 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.32 -48.97 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.13 -28.17 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.69 51.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.239 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.47 120.38 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.64 62.19 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -97.11 -0.42 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.21 64.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.58 55.9 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.657 1.571 . . . . 0.0 111.165 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.39 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' Z' ' 30' ' ' VAL . . . -64.29 -45.34 88.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.11 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.14 98.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.257 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.17 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.47 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.221 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.99 -44.14 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.26 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.63 -48.08 82.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.57 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.39 -43.82 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 168.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.64 82.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.55 -43.08 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.261 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.83 -45.12 75.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.95 77.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.61 -49.53 62.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.96 -28.68 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.73 -43.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.0 -42.39 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.12 8.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.2 73.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.93 -54.08 50.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.55 -32.64 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.08 75.69 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.5 -41.22 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.21 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.58 -43.62 76.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -36.02 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 52.9 t80 -64.91 -36.99 86.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -35.93 82.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 3.6 t80 -56.56 -49.99 73.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 172.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.86 -29.74 70.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.01 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 172.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.16 -28.08 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.65 51.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.268 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.44 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.75 62.3 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.5 47.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.322 . . . . 0.0 111.209 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.26 65.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.23 -31.59 56.49 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.72 1.613 . . . . 0.0 111.175 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.8 81.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.4 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.05 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 30' ' ' VAL . . . -64.22 -45.33 88.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.07 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.14 85.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.28 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.14 -41.47 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.48 -45.23 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.52 60.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.37 -43.88 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.65 -41.52 82.47 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.7 -43.04 94.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.17 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -67.74 -45.13 75.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.89 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.57 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.81 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.5 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.02 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 67.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.41 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -56.99 8.65 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.16 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.165 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -59.97 -54.06 50.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.48 -32.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.03 75.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.63 -41.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.59 -43.61 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -36.03 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 53.2 t80 -64.89 -37.04 86.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.92 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.1 77.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 3.7 t80 -56.45 -50.12 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 172.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -64.78 -29.67 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -69.36 -49.08 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -65.06 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.65 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.199 -1.576 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 179.285 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.47 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.64 62.32 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.1 -0.44 47.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.167 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.32 116.23 65.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.15 -31.6 55.76 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.812 1.674 . . . . 0.0 111.149 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.74 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 79.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.27 -45.3 88.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.13 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.14 85.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.27 -41.21 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.5 -33.29 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.49 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 -48.57 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.27 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.53 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.8 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 168.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.54 82.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.68 -43.02 94.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.192 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 26' ' ' TRP . . . . . 0.402 ' O ' HG23 ' S' ' 30' ' ' VAL . 23.7 m95 -67.84 -45.07 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.94 77.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.51 62.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.256 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.87 -28.83 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.225 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 30' ' ' VAL . . . . . 0.402 HG23 ' O ' ' S' ' 26' ' ' TRP . 22.1 t -64.7 -43.5 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.32 -44.03 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.77 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.265 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.06 -42.34 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.02 8.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.03 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.219 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.99 -54.16 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.75 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.12 75.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.14 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 111.214 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.62 -43.64 76.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.21 -36.08 83.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 53.2 t80 -65.04 -36.9 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.87 -35.89 82.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 3.6 t80 -56.57 -49.97 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 73.6 p -64.91 -29.69 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.22 -49.02 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.51 0.61 51.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 179.277 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.785 0.326 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.48 11.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.68 62.4 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.53 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.27 116.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.14 -31.63 55.69 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.702 1.601 . . . . 0.0 111.147 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.13 -42.45 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.26 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.81 72.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.48 -38.03 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.22 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.48 -33.29 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.33 90.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.07 -44.12 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.47 81.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.82 -25.55 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.4 -43.81 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 168.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.55 82.83 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.244 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.22 89.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.82 -45.04 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.95 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.66 -49.46 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.74 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 30' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' K' ' 10' ' ' ALA . 22.6 t -64.72 -43.54 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 172.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.34 -44.02 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.14 -51.91 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.96 -42.3 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.07 8.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.97 73.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.1 -54.01 51.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.6 -32.58 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.03 76.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.14 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.227 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.73 -43.52 76.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.93 82.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.266 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 53.3 t80 -65.08 -36.99 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.74 -35.94 82.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.252 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.94 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 3.6 t80 -56.46 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -64.85 -29.76 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.0 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 172.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.07 -28.19 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.73 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.497 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.275 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.727 0.299 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.59 120.43 11.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.55 62.35 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.49 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.31 116.19 64.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.16 -31.56 55.6 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.667 1.578 . . . . 0.0 111.219 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.72 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.22 -42.47 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.08 96.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.23 -45.34 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.98 -50.83 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.41 -38.12 85.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.33 -41.16 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.64 -33.16 70.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.05 -44.1 97.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.205 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.22 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.1 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.7 -25.59 60.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.3 -43.9 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.255 168.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.62 -41.56 82.33 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.11 94.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.224 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.2 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.0 76.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -43.84 77.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.69 -49.48 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.94 -28.77 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.175 -173.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' L' ' 10' ' ' ALA . 22.4 t -64.76 -43.5 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.94 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 -51.79 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.03 -42.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.02 8.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.48 -44.97 73.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 95.4 m -60.09 -54.03 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.61 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.96 77.0 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.253 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.53 76.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.94 82.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 42' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 53.4 t80 -65.0 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.03 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 45' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 3.7 t80 -56.47 -50.09 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.196 172.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -64.81 -29.68 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.3 -49.1 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 172.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.98 -28.21 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.64 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.279 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.59 120.48 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.64 62.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.47 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.266 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.34 116.17 64.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.239 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.09 -31.61 55.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.657 1.571 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 10' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.27 -45.33 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.192 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -58.1 -50.76 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.25 86.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.48 -33.27 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.53 97.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.34 90.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.28 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.08 -44.14 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.48 -45.26 76.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.14 81.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.66 -25.57 60.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.245 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.34 -43.82 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.45 83.05 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.67 -43.04 94.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.23 89.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.71 -45.18 75.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.99 77.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.59 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.7 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.52 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.46 -43.94 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.23 -51.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.2 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.03 8.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.11 73.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.227 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -60.02 -54.03 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.68 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.83 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.19 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.221 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.57 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.2 -36.0 82.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 52.9 t80 -65.04 -36.93 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 173.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.0 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 3.7 t80 -56.53 -49.96 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.277 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -64.83 -29.7 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.26 -49.04 59.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.06 -28.19 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.255 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.66 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 179.293 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.46 120.46 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.63 -9.67 62.43 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.01 -0.5 47.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.239 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.25 65.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.21 -31.54 56.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.763 1.642 . . . . 0.0 111.221 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.76 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.189 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.92 96.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.27 -45.3 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.06 -50.9 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.31 -38.2 86.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.11 98.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.63 -33.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.55 97.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.95 -44.19 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.26 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.17 81.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.5 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.43 -43.8 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.56 82.47 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.17 89.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.87 -45.04 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.98 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.52 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' N' ' 10' ' ' ALA . 22.6 t -64.71 -43.46 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.43 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.98 -42.41 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -57.01 8.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.08 73.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.105 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.06 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.254 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.56 -32.64 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.04 76.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.57 -43.53 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.01 82.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 53.4 t80 -64.97 -36.92 85.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 173.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 3.7 t80 -56.46 -50.1 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -64.81 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.29 -49.07 59.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.207 172.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.16 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.69 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.2 -1.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.294 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.49 120.43 11.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.63 62.31 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.11 -0.57 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.129 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.22 116.2 64.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.295 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.19 -31.54 55.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.685 1.59 . . . . 0.0 111.2 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.43 79.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.33 -45.33 88.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.15 85.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.31 -41.18 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.47 -33.34 71.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.05 -41.6 97.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.34 90.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.03 -44.13 97.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.55 -45.19 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.68 -48.09 82.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.46 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -173.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.42 -43.79 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.242 168.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.59 83.1 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.1 94.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.18 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.1 89.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.85 -45.06 75.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.01 76.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.58 -49.54 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.72 -43.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.43 -43.98 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.03 -42.3 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.4 -57.06 8.57 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.05 -54.1 50.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.04 76.27 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.73 -43.49 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.35 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 53.3 t80 -65.03 -36.92 85.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -36.05 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.82 -34.16 77.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.98 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 172.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -64.83 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.29 -49.02 59.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.07 -28.14 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.215 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.7 51.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 179.249 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.5 120.48 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.7 62.4 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.01 -0.49 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.23 116.16 64.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.217 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.17 -31.65 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.789 1.659 . . . . 0.0 111.144 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.78 81.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.3 79.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.97 97.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.33 -45.25 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.173 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.13 -50.86 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.09 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -41.18 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.5 -33.27 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.06 -41.62 97.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.53 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.22 175.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -44.18 97.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.49 81.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.25 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.06 82.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.78 -25.5 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.38 -43.84 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 168.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.64 82.67 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.52 -43.13 95.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.09 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.9 -45.08 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.89 77.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.59 -49.58 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 30' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' P' ' 10' ' ' ALA . 22.5 t -64.67 -43.5 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.39 -44.03 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.2 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.02 -42.41 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.06 8.49 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.32 -45.06 73.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.201 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -54.06 50.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.6 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.29 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.18 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.64 76.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.16 -36.03 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 52.9 t80 -64.94 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.9 -35.82 82.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.219 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -34.01 76.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 3.7 t80 -56.49 -50.03 72.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 75.1 p -64.89 -29.75 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.23 -49.04 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.229 172.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.15 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.35 0.53 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.324 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.53 120.45 11.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.61 -9.55 62.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.05 -0.46 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 111.273 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.38 116.26 65.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.27 -31.5 56.47 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.642 1.561 . . . . 0.0 111.19 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.44 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.94 96.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.8 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.1 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.17 98.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.264 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.53 -33.31 71.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.04 -41.58 97.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.38 90.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.01 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.205 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.17 77.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.213 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.72 -25.64 60.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.69 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 168.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.53 83.32 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.301 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.12 89.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.79 -45.18 75.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.6 -49.52 62.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.8 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' Q' ' 10' ' ' ALA . 22.5 t -64.73 -43.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.0 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.24 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.28 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.95 8.75 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -44.98 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.211 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 97.5 m -59.98 -54.04 50.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.63 -32.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.11 75.55 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.54 -41.13 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.56 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.97 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 53.3 t80 -64.98 -36.94 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 173.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.01 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 3.7 t80 -56.52 -49.99 73.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.33 -49.07 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.99 -28.2 69.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.4 0.53 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.247 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 179.317 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.53 120.43 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.69 62.28 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.08 -0.53 46.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.27 65.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.232 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.23 -31.45 55.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.683 1.588 . . . . 0.0 111.238 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.75 82.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.38 79.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.95 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.239 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.11 -50.76 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.35 -38.26 86.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.19 -41.23 98.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.47 -33.28 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.03 -41.57 97.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.254 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.49 90.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.16 97.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.269 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.23 77.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.5 60.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.83 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.6 82.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.06 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.223 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.73 -45.15 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.56 -49.64 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.85 -28.69 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.284 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.77 -43.58 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.38 -43.91 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.81 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.05 -42.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.08 8.52 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.02 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.22 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -59.97 -54.1 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.248 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.54 -32.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.91 -48.11 74.95 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.55 -41.16 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.237 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.57 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.26 -35.93 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.24 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.15 -36.79 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.88 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.88 -34.12 77.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.46 -50.01 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.83 -29.79 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.27 -49.06 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 172.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.02 -28.21 69.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.68 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.201 -1.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 179.327 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.792 0.33 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.53 120.42 11.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.76 -9.71 62.19 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -97.03 -0.49 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.3 116.17 64.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.27 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.23 -31.54 56.22 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.636 1.557 . . . . 0.0 111.218 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.36 88.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 85.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.2 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.18 98.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.15 -41.51 97.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.94 -44.21 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.55 -45.18 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.15 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.5 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.38 -43.83 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 168.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.45 82.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.71 -42.94 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.182 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.08 89.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.165 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.92 -45.12 75.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.48 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.94 -28.8 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.67 -43.43 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.21 -51.81 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.01 -42.29 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.08 8.49 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -53.98 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.09 75.55 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.55 -41.16 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 111.239 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.09 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.04 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.22 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.53 -49.92 73.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -64.93 -29.72 70.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.181 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.24 -49.1 59.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.04 -28.2 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.7 51.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.286 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.812 0.339 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.41 120.5 11.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.59 -9.67 62.5 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.51 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 111.178 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.2 64.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.22 -31.48 55.82 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.677 1.585 . . . . 0.0 111.237 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.47 80.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.227 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.26 88.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.194 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.81 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.38 -38.1 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.249 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.14 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.6 -33.28 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.54 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.44 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.0 -44.07 97.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.3 76.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.147 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.59 -48.1 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.58 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.38 -43.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 168.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.59 83.25 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.05 95.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.755 0.312 . . . . 0.0 111.229 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.16 89.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.05 75.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.248 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.254 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.54 62.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.92 -28.81 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -173.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.68 -43.51 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.4 -43.91 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.02 8.59 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.98 73.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.11 -54.03 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.63 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.99 76.77 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.49 -41.28 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.54 -43.57 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.34 -35.94 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -64.96 -37.0 86.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.9 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.232 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 172.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.81 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.244 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -69.28 -48.95 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 172.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.21 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.37 0.51 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 179.343 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.48 120.39 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.248 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.62 62.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.1 -0.5 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.25 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.25 -31.57 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.74 1.626 . . . . 0.0 111.194 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.74 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.257 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.4 79.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.32 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.12 -50.78 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.34 -41.15 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.57 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.238 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.34 90.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.46 -45.31 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.13 82.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.68 -25.53 60.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.44 -43.73 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.5 83.42 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.61 -43.02 95.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 111.22 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.13 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.264 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.78 -45.16 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.96 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.46 62.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.86 -28.86 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.69 -43.49 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.34 -43.98 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.23 -51.71 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.15 -42.29 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.54 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.07 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -54.03 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -74.55 -32.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -48.0 76.93 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.58 -41.1 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.51 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -36.01 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -64.98 -37.0 86.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.72 -35.98 82.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.42 -50.05 72.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.88 -29.72 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.01 59.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.17 -28.11 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.69 51.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 179.277 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.56 120.43 11.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.74 -9.58 62.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.07 -0.52 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.22 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.33 116.2 64.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.226 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.13 -31.49 55.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.681 1.587 . . . . 0.0 111.233 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.79 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.4 80.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.98 96.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.34 88.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.05 -50.82 72.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.2 86.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.21 -41.21 98.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.52 -33.26 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.06 -44.0 97.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 96.0 m -55.56 -45.27 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.57 -48.04 82.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.285 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.62 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.32 -43.85 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 168.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.7 -41.47 82.7 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.06 94.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 111.198 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.245 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.81 -45.1 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.93 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.52 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.8 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.68 -43.49 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 172.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.44 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.0 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.12 8.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.0 74.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.327 . . . . 0.0 111.29 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.02 -54.08 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.64 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.0 77.07 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.61 -41.09 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.192 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.59 -43.6 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -35.92 82.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.07 -36.94 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.81 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.07 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.51 -50.08 72.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 75.2 p -64.87 -29.65 70.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.3 -49.03 59.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 172.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.14 -28.12 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.39 0.56 51.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.213 179.299 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.48 120.44 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.77 62.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.52 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.24 116.17 64.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.244 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.15 -31.61 55.75 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.744 1.629 . . . . 0.0 111.144 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.29 -42.34 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.202 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.06 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.41 88.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.78 72.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.21 86.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.11 98.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.59 -33.25 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.12 -41.52 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.45 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.248 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.48 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -55.39 -45.25 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.289 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.01 82.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.198 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.34 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.52 83.26 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 171.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.22 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.75 -45.15 75.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.95 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.47 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.0 -28.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 -173.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.7 -43.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.201 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.44 -43.9 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.29 -51.81 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.96 -42.29 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.269 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.44 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.03 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.175 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -54.01 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.69 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.05 76.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.15 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.171 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.7 -43.54 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.05 82.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.9 -36.98 86.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.91 -35.89 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.03 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.263 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.56 -49.96 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -29.7 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.3 -49.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.51 0.65 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.494 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.259 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.84 0.352 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.54 120.46 11.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.226 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.66 62.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.56 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.24 116.22 64.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.1 -31.62 55.21 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.706 1.604 . . . . 0.0 111.242 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.65 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.44 79.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.25 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.14 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.15 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.47 -33.36 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.99 -41.57 97.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.37 90.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.21 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.05 -44.06 97.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.6 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.47 -45.21 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.63 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.31 -43.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.07 94.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.22 89.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.8 -45.07 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.83 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.67 -49.56 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.62 -43.48 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.277 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.4 -43.94 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.27 -51.77 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.97 -42.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.236 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.45 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.09 73.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.71 0.291 . . . . 0.0 111.113 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.02 -54.02 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.256 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.52 -32.66 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.238 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.02 76.52 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.55 -41.14 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.233 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.59 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.22 -36.04 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.238 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.75 -35.9 82.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.98 76.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.51 -50.06 72.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 73.1 p -64.75 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.22 -49.05 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 172.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.23 -27.98 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.56 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.235 179.282 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.344 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.44 120.41 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.64 62.33 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.5 47.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.205 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -31.55 56.45 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.657 1.571 . . . . 0.0 111.227 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.81 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.29 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.3 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.12 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.17 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.52 -33.27 70.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.12 -41.49 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.227 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.38 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.04 -44.11 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.48 81.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -55.57 -45.21 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.5 60.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.39 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.63 82.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.54 -43.07 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.9 -45.02 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.67 -49.55 62.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.74 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -173.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.76 -43.45 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.24 -51.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.42 94.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.05 -54.08 50.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.5 -32.66 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.14 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 111.22 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.53 -43.68 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.23 -35.99 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.99 -36.99 86.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.85 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.05 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.45 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 73.3 p -64.92 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -69.37 -48.97 59.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.14 -28.04 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.66 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 179.254 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.52 120.51 11.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.6 -9.59 62.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.05 -0.52 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.142 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.19 64.88 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.21 -31.56 56.13 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.707 1.604 . . . . 0.0 111.206 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.7 81.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.38 79.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.96 96.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.43 88.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.02 -50.84 72.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -41.11 98.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.49 -33.39 71.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.51 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.42 90.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.98 -44.18 97.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.46 81.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.47 -45.24 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.76 -25.46 60.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -173.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.48 -43.73 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.54 83.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 111.138 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.22 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.73 -45.18 75.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.229 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.224 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.69 -49.45 62.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.98 -28.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.67 -43.58 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -43.9 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.33 -51.74 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.41 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.14 8.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.11 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.167 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -54.01 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.72 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.97 76.87 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.59 -41.15 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.157 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.6 -43.62 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.28 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.08 -36.91 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.92 -35.81 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.02 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.237 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.54 -50.03 73.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.9 -29.66 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.25 -49.12 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.07 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.69 51.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.199 -1.582 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.336 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.37 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.74 25.3 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.31 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.127 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.58 145.19 96.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.86 -28.88 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.69 1.593 . . . . 0.0 111.208 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.48 79.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.23 -36.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.94 99.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 174.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.13 98.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.27 -41.05 96.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.5 -42.56 92.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -42.02 96.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.29 -47.35 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.52 92.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -35.74 79.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -58.54 -43.15 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.84 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.4 -37.78 87.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.56 -42.97 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.88 94.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.8 -39.32 90.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.56 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.211 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.14 -40.13 84.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.82 72.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.64 28.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.7 -26.24 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.09 -48.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.49 -41.85 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.61 -39.4 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -52.44 26.52 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.61 93.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.81 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.187 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -45.51 87.29 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.32 -39.54 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.73 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.5 -39.04 82.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.43 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.22 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.54 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 167.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -54.76 -41.87 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.05 -40.91 82.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.82 -29.26 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.94 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -178.715 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.59 124.45 20.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -16.76 25.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 111.151 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.46 145.13 97.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.86 -28.92 50.47 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.699 1.599 . . . . 0.0 111.187 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.49 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 173.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.7 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.08 99.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.27 98.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.16 -41.1 96.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.5 -42.56 91.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.28 -41.61 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.43 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.57 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.92 -35.7 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.216 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.58 -43.15 89.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.89 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.4 -37.85 87.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.51 -42.98 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.04 -43.74 94.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.6 68.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.02 -40.16 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.91 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.64 27.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.96 -48.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.67 -26.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -172.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.23 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.51 -41.81 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.291 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.66 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.46 26.21 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.51 92.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 111.164 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.34 -55.89 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.27 -41.08 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.264 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.52 86.99 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.35 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.32 -41.73 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.99 -36.57 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.52 -39.08 82.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.62 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.88 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.192 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.05 -40.92 82.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.222 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.8 -29.21 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.285 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.89 35.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.593 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -178.663 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.41 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.99 -16.84 25.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.227 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.48 145.19 97.08 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.89 -28.85 50.31 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.738 1.626 . . . . 0.0 111.191 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.5 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.51 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.07 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.06 96.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.47 -42.53 92.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.277 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -42.11 96.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.36 -47.3 84.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.52 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.98 -35.72 78.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.33 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.16 89.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.85 87.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.214 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.47 -43.08 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.86 94.63 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.27 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.195 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.62 68.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.206 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.18 -40.16 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.96 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.11 -43.64 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.72 -26.17 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -172.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.52 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.65 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.98 -52.44 26.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.63 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.03 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.47 87.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.36 -39.49 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.25 -41.82 93.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.85 -36.67 85.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.05 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.2 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.48 -49.71 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.87 -41.79 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.05 -40.99 82.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.73 -29.28 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.86 35.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.218 -178.694 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.51 124.44 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.196 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.85 -16.72 25.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.44 -35.39 75.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 111.185 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.49 145.1 97.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.8 -28.86 51.05 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.658 1.572 . . . . 0.0 111.253 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.51 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.58 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.06 99.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.16 98.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.239 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.55 -42.51 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.01 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.62 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.57 91.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.232 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.61 -43.1 89.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.93 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.34 -37.89 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.49 -43.05 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.83 -43.93 94.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.23 90.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.237 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.55 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.14 -40.09 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.28 -43.64 27.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.96 -48.83 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.63 -26.19 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -172.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.26 -48.2 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.91 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.6 -39.36 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.05 -52.41 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.63 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.79 27.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.12 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.57 86.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.28 -39.54 84.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.68 94.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.244 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' D' ' 44' ' ' LYS . 90.2 mt -65.09 -36.47 84.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.51 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' D' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.212 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.69 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.229 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.81 -41.83 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.92 82.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.89 -29.15 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.91 35.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.726 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.37 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.83 25.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.42 -35.29 75.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.715 0.293 . . . . 0.0 111.21 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.51 145.12 97.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.237 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.87 -28.84 50.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.685 1.59 . . . . 0.0 111.197 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.49 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.205 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.09 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.34 -40.95 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 75.3 m -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.43 -47.32 84.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.5 92.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.94 -35.68 78.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.3 96.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.6 -43.22 89.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.24 -48.96 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.33 -37.9 87.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.43 -43.08 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.74 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.97 -39.22 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.746 0.308 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.66 68.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.03 -40.19 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.87 -37.9 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.243 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.72 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -172.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.22 -48.08 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.66 -41.81 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.51 25.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -55.32 -55.83 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.18 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.52 86.82 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.25 -39.55 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.72 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' E' ' 44' ' ' LYS . 89.8 mt -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.222 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.99 82.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.55 72.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' E' ' 41' ' ' LEU . 68.5 mttm -64.33 -39.25 93.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 167.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.8 -41.84 71.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.04 -40.93 82.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.91 -29.2 39.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.85 35.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -178.641 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.49 124.34 20.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.79 25.17 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.52 -35.25 75.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.53 145.08 96.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.78 -28.94 51.17 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.724 1.616 . . . . 0.0 111.19 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.41 79.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.66 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 174.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.08 96.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.233 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.48 -42.54 92.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.269 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.26 -42.04 96.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.69 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.34 84.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.69 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.32 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.61 -43.17 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.86 79.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.47 -43.11 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.89 94.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.29 90.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.6 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.1 -40.12 84.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.92 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.25 -43.62 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.03 -48.74 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.22 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.07 -48.29 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.9 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.58 -39.45 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.46 26.01 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 92.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.743 0.306 . . . . 0.0 111.193 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.35 -55.78 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.14 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.58 86.54 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.28 -39.53 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.97 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.59 -38.95 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.58 -34.45 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.26 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.69 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.259 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t -57.99 -40.95 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.277 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.93 -29.15 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.225 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.96 35.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -178.661 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.57 124.35 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.89 25.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.53 -35.18 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 111.193 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.58 145.15 96.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.87 -28.9 50.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.52 79.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.54 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.26 98.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.2 -41.06 96.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.48 -42.52 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.37 -41.95 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.53 96.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.47 -47.25 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.78 79.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.39 96.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.65 -43.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.43 -48.87 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.84 87.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.84 94.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.9 -39.21 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.59 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.09 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.82 72.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.71 27.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.84 -48.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.73 -26.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.09 -48.26 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.55 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.57 -39.49 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 84.4 m -55.43 -55.77 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.33 -41.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.58 86.48 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.28 -39.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.209 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.65 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' G' ' 44' ' ' LYS . 89.6 mt -65.0 -36.66 85.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 175.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.45 -39.05 82.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 171.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' G' ' 41' ' ' LEU . 68.5 mttm -64.34 -39.23 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.49 -49.71 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.84 -41.82 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.211 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.95 82.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.81 -29.22 40.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.271 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.91 35.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.6 124.4 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.81 25.31 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.39 -35.34 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.44 145.15 97.1 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.9 -28.88 50.17 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.201 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.53 79.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 173.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.25 -36.67 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.1 99.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.19 98.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.1 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.46 91.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.3 -42.07 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.61 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.34 84.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.58 91.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.94 -35.71 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.36 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.14 89.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.88 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.42 -37.86 87.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.202 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -43.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.81 94.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.95 -39.22 90.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.64 68.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.78 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.35 -43.56 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.187 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.85 -48.94 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.2 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.2 -48.25 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.51 -41.8 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.64 -39.51 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.53 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.53 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.41 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.11 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.55 86.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.27 -41.77 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.93 -36.63 85.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.56 -34.48 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.42 -39.12 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.21 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.7 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.81 -41.86 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.02 -41.01 82.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.88 -29.09 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.34 -19.87 35.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 -178.71 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.773 0.32 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.58 124.42 20.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.91 -16.75 25.45 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 -35.35 75.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.46 145.21 97.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.95 -28.87 49.79 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.702 1.601 . . . . 0.0 111.168 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.39 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.39 -36.6 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.07 98.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.02 96.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.52 -42.47 91.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.27 -42.11 96.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.65 96.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.37 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.5 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -68.04 -35.7 78.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.58 -43.12 89.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.79 80.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.41 -37.87 87.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.48 -43.09 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.194 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.92 94.53 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.86 -39.3 90.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.17 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.68 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.09 -40.09 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.32 -43.61 27.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.92 -48.84 86.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.62 -26.25 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -172.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.52 -41.87 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.65 -39.37 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.96 -52.47 26.1 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.52 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 85.9 m -55.34 -55.83 27.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.4 -41.09 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.56 86.74 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.29 -39.56 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.215 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 41' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' I' ' 44' ' ' LYS . 89.9 mt -64.93 -36.56 84.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -38.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.57 -34.51 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD23 ' I' ' 41' ' ' LEU . 68.5 mttm -64.38 -39.17 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.61 -49.63 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.205 167.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.8 -41.85 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.0 -40.95 82.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.92 35.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -178.638 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.55 124.35 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.78 25.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.43 -35.33 75.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.345 . . . . 0.0 111.204 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.47 145.17 97.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.9 -28.86 50.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.671 1.581 . . . . 0.0 111.22 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.28 -36.67 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.266 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.19 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.06 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.5 -42.57 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.31 -47.33 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.62 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.71 78.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.27 96.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.234 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.6 -43.17 89.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.89 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -42.99 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.23 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.78 94.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.9 -39.21 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.251 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.56 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.07 -40.2 84.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.85 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.65 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.73 -26.16 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -172.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.228 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.209 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.74 -39.36 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.53 93.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.5 86.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.32 -39.56 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.79 94.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.88 -36.6 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.59 -39.0 82.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.5 72.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.24 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.291 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.5 -49.72 71.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.253 167.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 87.4 m -54.74 -41.78 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.09 -40.95 82.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.94 -29.07 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -178.606 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.55 124.39 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.98 -16.88 25.21 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.44 -35.33 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.5 145.13 97.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.86 -28.85 50.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.669 1.579 . . . . 0.0 111.206 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.44 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.28 -36.61 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.259 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.03 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.08 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.46 -42.51 92.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.232 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.35 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.52 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.9 -35.66 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.42 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 97.9 m -58.49 -43.18 88.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.41 -37.74 86.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.59 -42.94 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.72 95.0 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.92 -39.36 90.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.194 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.56 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.13 84.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.228 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.01 -37.86 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.69 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.8 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.69 -26.25 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -172.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.09 -48.27 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.54 -41.77 93.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.62 -39.5 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.42 26.13 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.57 93.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.39 -55.81 27.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.228 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.13 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.57 86.49 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.23 -39.56 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.96 -36.53 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.56 -39.03 82.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.45 72.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.35 -39.29 93.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.61 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 167.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.8 -41.92 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.01 -40.92 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.277 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.22 -19.91 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.39 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.8 25.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.45 -35.22 75.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.26 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.55 145.11 96.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.73 -28.98 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.7 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.09 99.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.18 98.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.21 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.57 91.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -41.96 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.32 -41.58 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.42 -47.3 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.49 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.88 -35.73 79.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.258 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.59 -43.18 89.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.75 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.55 -43.08 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.83 94.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.21 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.278 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.09 -40.14 84.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.64 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.243 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.99 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.26 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.16 -48.2 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.58 -41.79 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.65 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.38 26.13 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.57 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.38 -55.85 26.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.29 -41.07 83.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.6 86.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.58 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.166 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.79 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' L' ' 44' ' ' LYS . 89.8 mt -64.91 -36.66 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 42' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.43 -39.09 82.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.262 171.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.45 -34.59 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' L' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 176.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.63 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.87 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.11 -40.9 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.194 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.89 -29.19 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.84 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.199 -1.601 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -178.707 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.58 124.48 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -16.79 25.51 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.29 75.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.12 97.03 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -65.86 -28.85 50.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.689 1.593 . . . . 0.0 111.258 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.59 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.186 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.07 99.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.14 96.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.56 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -42.08 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.19 -41.65 96.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.3 84.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.45 92.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.71 78.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.31 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.55 -43.2 89.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.92 79.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.76 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.259 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.61 -43.03 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.81 94.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.4 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.71 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.05 -40.09 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.94 72.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.16 -43.71 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.66 -26.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -172.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.19 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.59 -39.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.1 -52.41 26.95 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.6 93.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.307 . . . . 0.0 111.216 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.34 -55.76 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.59 86.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.63 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 111.192 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.22 -41.81 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' M' ' 44' ' ' LYS . 89.7 mt -65.06 -36.44 84.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.227 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.58 -39.03 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 171.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.63 -34.47 72.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' M' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.26 93.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.207 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.52 -49.64 72.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.82 -41.88 71.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.06 -40.87 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.89 -29.23 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.9 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -178.685 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.871 0.367 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.59 124.33 20.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.08 -16.81 24.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.51 -35.28 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.758 0.313 . . . . 0.0 111.158 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.46 145.14 97.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 175.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.88 -28.84 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.682 1.588 . . . . 0.0 111.213 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.5 79.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.71 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.12 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.28 98.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.04 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.48 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.66 96.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.36 84.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.54 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.31 -48.89 79.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -62.4 -37.82 87.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.01 -43.72 94.92 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.92 -39.23 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.07 -40.07 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.205 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.81 72.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.21 -43.71 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.03 -48.7 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.69 -26.25 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.53 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.58 -39.45 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.5 25.8 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.58 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.247 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.33 -55.85 26.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -40.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.62 86.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.2 -39.55 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.266 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.4 -41.79 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.0 82.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.53 -34.46 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.43 -39.25 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 167.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.76 -41.83 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.17 -40.93 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.85 -29.19 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.83 35.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -178.641 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.66 124.45 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.9 -16.74 25.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.51 -35.3 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.41 145.14 97.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -65.84 -28.97 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.719 1.613 . . . . 0.0 111.144 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 174.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.62 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.22 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.17 -41.11 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.55 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.61 96.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.47 83.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.61 91.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.79 79.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.28 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 96.7 m -58.64 -43.1 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.92 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.44 -37.71 86.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.76 94.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.208 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.68 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.01 -40.16 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.65 27.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.88 -48.87 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.31 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.1 -48.21 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.6 -39.45 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.55 25.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.59 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.88 26.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.24 -41.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.61 86.36 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 111.219 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.02 -36.5 84.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.72 -38.86 82.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 171.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.65 -34.44 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.14 -40.91 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.79 -29.24 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.89 35.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -178.649 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.66 124.44 20.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.72 25.3 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.48 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.199 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.51 145.14 97.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.81 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.72 1.614 . . . . 0.0 111.191 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.44 79.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.42 -36.51 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.2 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.22 -41.11 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.49 -42.55 92.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.31 -42.03 96.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.27 -41.51 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.48 -47.31 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.43 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.95 -35.72 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.34 96.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.239 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -58.55 -43.15 89.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.265 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.36 -48.91 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.44 -37.75 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -42.98 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.227 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.85 94.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.85 -39.3 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.257 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.7 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -58.99 -40.25 84.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.212 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.88 71.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.24 -43.67 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.92 -48.86 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.233 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.6 -26.24 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.56 -41.78 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.66 -39.52 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.36 26.34 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.54 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.33 -55.88 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.08 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.245 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.62 86.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.3 -41.81 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.54 -38.99 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.64 -34.42 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.16 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.53 -49.67 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.185 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -54.79 -41.85 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.25 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t -58.06 -40.94 82.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.29 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.84 -29.19 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.87 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -178.655 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.53 124.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.03 -16.78 25.12 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.5 -35.26 75.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.196 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.56 145.14 96.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.75 -28.98 51.33 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.706 1.604 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.66 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.28 98.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.03 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.57 91.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.03 96.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.59 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.28 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.5 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.47 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.54 -43.19 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.39 -37.81 87.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.49 -43.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.81 94.69 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.82 -39.32 90.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.224 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.54 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.185 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.26 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.9 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.65 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.04 -48.78 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.57 -26.33 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.225 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.49 -41.9 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.246 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.55 -39.52 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.43 25.81 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.49 92.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.179 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.4 -55.77 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -41.03 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.52 87.03 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.24 -39.61 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.188 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.25 -41.79 93.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' Q' ' 44' ' ' LYS . 89.5 mt -64.97 -36.64 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 175.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.52 -39.06 82.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.47 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' Q' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.27 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.53 -49.64 72.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.89 -41.83 71.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.06 -40.89 82.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -29.21 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.28 -19.9 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.793 0.33 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.63 124.41 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.75 25.36 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.49 -35.37 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 111.163 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.38 145.1 97.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.82 -28.99 50.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.615 . . . . 0.0 111.168 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.49 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.21 -36.69 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.18 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.17 -41.12 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.57 -42.54 91.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.6 96.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.3 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.52 92.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.92 -35.67 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.47 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.59 -43.02 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.25 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.87 79.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.47 -37.79 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.07 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.84 94.72 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.37 90.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -51.65 68.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.04 -40.14 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.91 72.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.15 -43.75 27.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.91 -48.78 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.66 -26.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -172.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.1 -48.19 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.61 -41.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.63 -39.49 83.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.42 26.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.6 93.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.28 -55.88 26.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.07 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.45 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.28 -39.57 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 111.155 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.77 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' R' ' 44' ' ' LYS . 89.8 mt -65.01 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.06 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.44 72.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' R' ' 41' ' ' LEU . 68.5 mttm -64.42 -39.26 93.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' R' R ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.56 -49.65 72.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 167.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.79 -41.87 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.03 -41.0 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -29.19 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.91 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -178.672 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.806 0.336 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.6 124.37 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.78 25.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.51 -35.31 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.52 145.1 96.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -65.78 -28.88 51.18 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.726 1.617 . . . . 0.0 111.248 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.52 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.64 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.01 99.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.225 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.24 -41.09 96.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.56 -42.45 91.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.26 -42.1 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.39 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.62 91.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.96 -35.69 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.6 -43.09 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.39 -37.9 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.05 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.29 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.169 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.63 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.17 84.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.88 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.66 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.97 -48.79 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.68 -26.22 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.25 -48.18 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.58 -39.46 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.217 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.53 25.64 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.51 93.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.257 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.38 -55.9 26.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.32 -41.15 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.61 86.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.25 -39.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.219 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.1 -36.43 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 42' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.45 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.29 93.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.64 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.78 -41.83 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.08 -40.94 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.19 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.86 35.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.78 0.324 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.65 124.4 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.82 25.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.2 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.26 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.59 145.2 96.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.87 -28.91 50.41 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.688 1.592 . . . . 0.0 111.201 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.46 79.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.05 96.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.52 -42.5 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.31 -41.97 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.58 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.237 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.43 96.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -43.16 88.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 174.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.47 -48.77 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.46 -37.75 87.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.08 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.234 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.8 94.78 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.65 68.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -58.99 -40.21 84.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.216 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.77 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.23 -43.67 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.98 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.61 -26.28 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.17 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.57 -39.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.196 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.44 25.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.62 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.26 -55.9 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.1 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.56 86.38 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.34 -39.53 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.81 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.49 -39.07 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.59 -49.67 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.74 -41.88 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.13 -40.82 82.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.95 -29.15 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.81 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.679 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.33 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.07 -16.81 25.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.49 -35.28 75.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 111.204 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.48 145.16 97.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.85 -28.93 50.61 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.741 1.627 . . . . 0.0 111.174 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.51 79.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.219 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.7 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.21 99.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.26 98.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.62 92.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.229 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.17 -42.1 96.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.25 -41.58 96.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.43 -47.34 84.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.52 92.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.93 -35.67 78.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.45 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.51 -43.12 89.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -62.32 -37.85 87.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.82 94.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.86 -39.31 90.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.57 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.83 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.24 -43.68 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.67 -26.19 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.24 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.57 -41.75 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.66 -39.47 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.45 26.1 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.69 93.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.12 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.62 86.46 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.24 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.77 94.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' U' ' 44' ' ' LYS . 89.3 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -39.04 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.188 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.48 -34.58 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' U' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.25 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.43 -49.69 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.267 167.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.82 -41.81 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.01 -41.01 82.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.84 -29.21 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.9 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -178.683 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.851 0.357 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.51 124.28 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.243 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.78 25.15 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.29 75.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.47 145.15 97.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.84 -28.88 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.704 1.603 . . . . 0.0 111.198 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.5 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 173.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.63 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.1 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.13 98.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.07 96.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.48 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.58 97.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.278 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.45 -47.31 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.48 92.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.97 -35.68 78.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.33 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.67 -43.14 89.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.8 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.95 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -176.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.45 -43.12 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.85 94.72 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.86 -39.27 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.6 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.04 -40.19 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.87 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.63 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.83 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.71 -26.28 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -172.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.21 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.59 -41.84 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.6 -39.47 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.84 -52.48 25.52 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.52 92.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -55.44 -55.75 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.07 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -45.57 86.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.182 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.79 93.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' V' ' 44' ' ' LYS . 89.7 mt -64.95 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' V' V ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.57 -38.99 82.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.61 -34.47 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' V' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.28 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' V' V ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.58 -49.58 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 167.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.86 -41.79 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.242 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.95 82.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.82 -29.27 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.92 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.615 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.65 124.44 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.91 -16.74 25.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.35 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 111.18 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.4 145.18 97.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.93 49.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.7 1.6 . . . . 0.0 111.18 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.36 -36.55 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.04 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.226 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.21 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.13 -41.16 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.52 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.29 -41.56 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.36 83.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.51 92.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.72 78.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 96.8 m -58.6 -43.15 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.77 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.55 -43.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.75 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.8 -39.3 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.22 -40.09 84.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.81 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.23 -43.68 27.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.256 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.9 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.286 -173.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.22 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.249 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.2 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.38 26.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 85.2 m -55.25 -55.92 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.03 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -45.68 86.03 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.34 -41.74 94.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.01 -36.55 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.61 -38.97 82.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 171.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.42 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.21 93.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.54 -49.66 72.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 167.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.76 -41.88 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.08 -40.91 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.89 -29.24 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.84 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.297 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 -178.679 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.64 124.42 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.79 25.27 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.47 -35.35 75.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.143 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.16 97.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.9 -28.89 50.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.714 1.609 . . . . 0.0 111.167 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.53 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.26 -36.68 69.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.266 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.15 98.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.11 96.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.04 96.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.28 -41.58 96.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.39 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.51 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.96 -35.76 78.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.31 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.53 -43.18 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.218 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.82 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.55 -37.76 87.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.51 -43.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.83 94.75 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.59 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.13 -40.16 84.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.81 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.77 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.85 -48.88 85.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -173.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.249 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.16 -48.16 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.256 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.84 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.67 -39.43 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.45 25.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.61 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.33 -55.83 27.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.12 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.58 86.79 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.53 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.199 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.74 94.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.04 -36.5 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.56 -39.04 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 171.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.39 -39.18 93.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.62 -49.66 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 167.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.16 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.87 -29.22 39.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.78 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -178.695 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.709 0.29 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.64 124.4 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.99 -16.78 25.22 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.52 -35.29 75.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.12 97.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.93 -28.78 50.02 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.666 1.577 . . . . 0.0 111.16 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.48 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.64 68.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.2 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.14 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.28 -40.99 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.62 -42.46 91.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.6 96.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.32 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.5 92.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.226 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.89 -35.73 79.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.38 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.61 -43.16 89.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.46 -37.81 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.51 -43.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.86 94.69 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.85 -39.35 90.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 111.2 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.61 68.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.13 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.222 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.84 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.64 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.97 -48.81 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.25 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.13 -48.21 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.8 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.61 -39.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.52 92.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 83.7 m -55.41 -55.83 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -45.59 86.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.26 -39.57 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.189 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.02 -36.5 84.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.55 -39.1 82.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.54 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.36 -39.26 93.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.65 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 167.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.85 -41.77 71.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.273 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.08 -40.93 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.84 -29.26 40.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.81 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -178.689 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.75 0.309 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.38 20.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.18 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.8 25.2 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.45 -35.45 75.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.45 145.18 97.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.92 -28.87 50.07 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.193 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.58 79.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.64 69.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.1 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 174.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.31 -41.03 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.45 91.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.08 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.32 84.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.58 91.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.86 -35.82 79.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.32 96.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.56 -43.21 89.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.35 -37.88 87.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.21 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.87 94.77 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.89 -39.32 90.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.184 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.54 69.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.296 175.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -59.14 -40.14 84.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.218 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.22 -43.66 27.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.94 -48.81 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.66 -26.27 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.21 -172.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.05 -48.31 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.51 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.7 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.55 25.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.64 93.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 84.6 m -55.45 -55.71 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.196 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.47 -41.09 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.54 86.48 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.31 -39.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.24 -41.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 41' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' Z' ' 44' ' ' LYS . 89.6 mt -64.98 -36.53 84.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.25 175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Z' Z ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.46 -39.09 82.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.54 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 44' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' Z' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Z' Z ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.62 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 167.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.91 -41.75 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.85 82.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.97 -29.11 39.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.25 -20.01 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.236 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -178.649 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.61 124.46 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.74 25.42 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.43 -35.42 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 111.204 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.4 145.11 97.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.84 -28.92 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.707 1.604 . . . . 0.0 111.177 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.45 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.68 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.232 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.0 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.29 -42.09 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.18 -41.63 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.235 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.29 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.43 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.99 -35.66 78.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.57 -43.2 89.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.86 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.4 -37.78 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.49 -43.09 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.84 94.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.23 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 111.27 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.66 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.05 -40.17 84.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.85 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.18 -43.66 27.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.96 -48.87 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -173.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 28.8 m -70.65 -26.21 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.2 -48.13 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.61 -41.84 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.57 -39.58 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.44 25.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.56 92.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.35 -55.77 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.39 -41.09 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.55 86.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.35 -41.67 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.281 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.55 -38.98 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.222 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.67 -34.47 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.36 93.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.67 71.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 167.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.77 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.91 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.84 -29.23 40.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.84 35.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -178.741 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.6 124.41 20.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.72 25.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.52 -35.29 75.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.295 . . . . 0.0 111.195 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.53 145.1 96.96 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.85 -28.87 50.65 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.746 1.631 . . . . 0.0 111.161 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.49 79.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.55 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.02 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.16 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.58 -42.4 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.38 -42.03 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.3 -41.53 96.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 96.4 m -58.59 -43.07 89.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.5 -37.71 87.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.51 -43.07 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.89 94.6 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.87 -39.26 90.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.63 68.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.06 -40.1 84.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.64 27.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 -26.2 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.22 -48.19 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.65 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.47 25.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 93.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 86.1 m -55.33 -55.76 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.06 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -45.56 86.99 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 85.3 mt -66.23 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 111.239 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.2 -41.9 93.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.88 -36.63 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.187 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.02 82.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.44 72.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.193 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.58 -49.66 72.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.79 -41.87 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.17 -40.9 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.88 -29.1 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.36 -19.85 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.706 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.55 124.35 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.252 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.93 -16.66 25.44 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.55 -35.27 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.1 97.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.86 -28.81 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.709 1.606 . . . . 0.0 111.198 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.48 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.61 68.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.225 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.31 -41.04 96.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.09 96.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.63 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.31 -47.38 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.53 91.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.67 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.36 96.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.57 -43.17 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.8 80.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.81 87.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.47 -43.15 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.75 94.78 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.91 -39.32 90.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.01 -40.22 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.83 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.26 -43.68 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.98 -48.75 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.63 -26.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -172.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.47 -41.95 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -39.4 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.48 26.11 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 111.219 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.28 -55.86 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.35 -41.08 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.6 86.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.8 94.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.62 -39.02 82.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.47 -34.54 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.31 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.5 -49.69 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 167.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.79 -41.89 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.87 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.85 -29.13 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.265 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -178.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.57 124.36 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.81 25.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.48 -35.26 75.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 111.161 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.51 145.12 97.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.84 -28.84 50.71 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.663 1.575 . . . . 0.0 111.278 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.53 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.66 68.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.47 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.08 96.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.23 -41.62 96.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.35 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.52 92.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.9 -35.74 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.55 -43.19 89.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -62.43 -37.8 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.53 -43.02 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.8 94.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.21 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.59 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.03 -40.16 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.81 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.22 -43.68 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.94 -48.88 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.6 -26.23 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.1 -48.21 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.64 -41.82 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.61 -39.41 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.44 26.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.55 92.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.774 0.321 . . . . 0.0 111.172 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 84.0 m -55.36 -55.84 26.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.06 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.67 86.0 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.57 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 111.244 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.72 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.96 -36.54 84.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.89 82.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 171.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.66 -34.39 71.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.61 -49.64 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 167.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.08 -40.97 82.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.12 39.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.89 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.582 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.661 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.769 0.319 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.58 124.4 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.211 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.93 -16.75 25.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.51 -35.26 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.48 145.16 97.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.88 -28.95 50.33 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.724 1.616 . . . . 0.0 111.165 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.45 80.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.61 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.208 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.12 96.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.04 96.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.32 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.6 91.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.81 -35.78 79.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.39 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.52 -43.2 89.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.28 -48.92 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.45 -37.77 87.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 -176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.49 -43.02 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.99 -43.88 94.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.76 -39.33 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.66 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.02 -40.12 84.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.89 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.08 -43.67 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.93 -48.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.14 -48.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.51 -41.85 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.64 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.4 26.38 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.53 92.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.182 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.35 -55.85 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.13 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.62 86.28 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.27 -39.56 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 111.18 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.33 -41.71 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.99 -36.61 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -39.09 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.47 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.52 -49.67 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.209 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.83 -41.91 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -57.95 -41.05 82.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.78 -29.22 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.24 -19.9 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.255 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -178.742 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.782 0.325 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.56 124.41 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.75 25.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.58 -35.2 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 111.24 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.52 145.14 97.0 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.93 -28.79 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.716 1.611 . . . . 0.0 111.159 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.46 79.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -72.29 -36.67 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.98 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.197 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.06 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.256 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -42.09 96.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.62 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.38 -47.24 84.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.59 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 84.5 p -67.89 -35.72 78.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.47 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.57 -43.2 89.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.81 80.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.87 87.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.41 -43.14 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.87 94.58 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.88 -39.27 90.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.2 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.59 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.12 -40.17 84.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.65 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.94 -48.87 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.29 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.16 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.62 -41.75 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.66 -39.46 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.44 26.16 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.53 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 86.3 m -55.36 -55.84 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.1 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.63 86.33 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.25 -39.56 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.79 94.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.07 82.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.25 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.22 93.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.56 -49.76 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.72 -41.84 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.249 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.04 -40.97 82.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.83 -29.21 40.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.89 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 -178.686 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.51 124.33 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.81 25.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.49 -35.21 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 111.298 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.53 145.13 96.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.96 -28.73 49.8 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.695 1.597 . . . . 0.0 111.191 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.43 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.68 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.03 96.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.55 -42.6 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.2 -42.1 96.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.24 -41.64 96.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.26 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.257 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.48 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.165 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.43 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.49 -43.19 88.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.41 -48.76 80.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.53 -37.73 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.58 -43.04 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.81 94.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.233 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.02 -40.16 84.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.83 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.74 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.86 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.65 -26.23 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -172.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.55 -41.79 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.78 -39.31 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.59 25.46 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.63 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.21 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -55.24 -55.83 26.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.08 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.228 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -39.52 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 111.184 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.39 -41.72 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.53 -39.06 82.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.47 72.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.08 93.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.6 -49.66 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.79 -41.9 71.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.03 -40.93 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.88 -29.18 39.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.24 -19.89 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.278 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -178.713 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.59 124.39 20.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.98 -16.75 25.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.43 145.09 97.07 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.9 -28.8 50.28 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.677 1.584 . . . . 0.0 111.221 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.43 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.53 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.11 99.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.11 98.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.28 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.49 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.225 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.35 -41.99 96.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.34 -41.57 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.44 -47.21 84.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.237 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.49 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.97 -35.7 78.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.41 96.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.68 -43.05 89.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.44 -48.79 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.265 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.43 -37.8 87.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.52 -43.04 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.89 94.58 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.34 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.63 68.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -58.96 -40.25 84.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.75 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.88 -48.83 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.28 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.65 -41.78 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.62 -39.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.81 -52.54 25.18 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.53 93.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.37 -55.76 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.215 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.51 86.96 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.34 -39.49 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.36 -41.74 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.92 -36.62 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.49 -39.02 82.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 171.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.56 72.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.25 93.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.48 -49.73 71.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 167.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.13 -40.91 82.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.207 -178.701 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.849 0.357 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.54 124.44 20.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.79 25.34 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.6 -35.25 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.0 111.118 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.45 145.16 97.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.87 -28.84 50.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.236 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.26 -36.59 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.2 98.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.23 -41.13 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.43 -42.58 92.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.2 -42.09 96.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.63 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.37 -47.29 84.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.55 91.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.41 96.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.57 -43.09 89.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.85 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.48 -37.76 87.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -176.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.48 -43.09 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.84 94.71 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.85 -39.29 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.65 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.274 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.82 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.19 -43.7 27.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.97 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -26.41 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.13 -48.23 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.62 -41.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.6 -39.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.46 25.87 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.57 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.3 -55.82 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.24 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.14 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.46 87.13 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.33 -39.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.193 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.75 94.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.173 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.61 -39.02 82.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.53 72.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.33 93.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.46 -49.71 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 167.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.82 -41.82 71.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.1 -40.9 82.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.91 -29.13 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.67 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.65 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.93 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.81 -8.23 56.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.729 0.3 . . . . 0.0 111.185 175.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.96 116.86 66.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.88 52.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.716 1.611 . . . . 0.0 111.17 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.16 87.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.19 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.86 91.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.95 93.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.56 97.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.53 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -61.89 -41.46 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -73.99 -31.15 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.39 -44.87 95.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.51 92.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.8 95.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.24 71.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.98 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.22 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.25 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.1 89.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.84 -35.08 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 111.171 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.22 -40.04 96.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.248 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.47 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.6 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG21 HD12 ' F' ' 39' ' ' ILE . 53.3 t -64.87 -44.43 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -173.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.94 -45.35 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.24 -48.04 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.224 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.89 -47.99 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.237 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA2' HD21 ' R' ' 14' ' ' LEU . . . -51.61 -48.68 49.02 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.09 75.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.35 65.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.61 -35.76 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.25 87.95 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' E' ' 29' ' ' VAL . 38.2 mm -66.99 -41.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.46 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 44.9 t80 -62.88 -39.13 93.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.41 79.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.24 -37.22 86.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 171.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.8 p -71.0 -23.24 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.222 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.82 11.16 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.4 4.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.201 -1.497 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.231 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.78 0.324 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.63 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.48 27.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.88 -8.25 56.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.832 0.348 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.92 116.8 66.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.19 -32.92 52.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.747 1.631 . . . . 0.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.1 -42.09 93.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.8 91.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.95 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.53 97.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.89 -36.62 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.34 97.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.466 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.94 -31.35 63.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.13 -44.96 94.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.83 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.71 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.243 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.24 71.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.43 -47.97 79.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.23 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.65 -42.33 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.12 89.66 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.87 -35.03 76.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.04 95.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.24 -40.07 96.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.38 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.97 -50.64 67.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' G' ' 39' ' ' ILE . 53.2 t -64.73 -44.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.06 -45.32 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.245 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.26 -48.01 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -48.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' S' ' 14' ' ' LEU . . . -51.64 -48.63 49.35 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.07 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.219 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.83 -52.44 65.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.14 88.67 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' W' ' 29' ' ' VAL . 38.4 mm -67.0 -41.39 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.4 97.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.59 84.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 44.7 t80 -62.73 -39.3 93.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 175.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.07 -35.36 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.206 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.15 86.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.39 75.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 171.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.36 -32.0 73.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.227 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.93 -23.29 62.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.84 11.13 38.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.85 34.43 4.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -177.462 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.66 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.62 26.97 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.82 -8.32 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.167 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.82 116.84 66.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.26 -32.92 52.88 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.716 1.611 . . . . 0.0 111.212 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.272 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.14 -42.16 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.86 91.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.9 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.58 97.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.45 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.03 -41.41 98.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.492 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -73.99 -31.29 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.81 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.85 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.28 -48.25 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.247 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.02 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.22 79.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.67 -42.27 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 173.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.07 90.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.75 -35.2 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.55 72.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.0 -50.63 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' H' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.211 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.96 -45.33 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.25 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.3 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.8 -48.09 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.227 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.59 -39.42 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.268 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' O' ' 14' ' ' LEU . . . -51.68 -48.62 49.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.2 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.206 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.83 -52.44 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.55 -35.76 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.14 88.19 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' G' ' 29' ' ' VAL . 38.5 mm -67.04 -41.34 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.75 -41.37 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.6 84.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 44.8 t80 -62.76 -39.18 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.11 -35.33 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.21 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 23.6 t80 -55.24 -47.42 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 171.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.41 -31.96 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.99 -23.18 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.251 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.12 38.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.46 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -177.485 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.68 37.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.74 26.76 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -172.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.74 -8.26 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.233 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.83 66.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.233 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.29 -32.85 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.68 1.586 . . . . 0.0 111.207 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.24 87.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.26 94.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.91 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.293 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.51 97.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.51 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.84 -41.48 97.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.49 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.7 mt -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.22 -44.92 94.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.248 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.49 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.71 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.36 -48.17 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -47.97 79.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.56 -35.24 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.66 -42.34 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.37 -44.09 89.82 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.8 -35.14 76.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.174 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.21 -40.06 96.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.4 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.251 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.62 67.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' I' ' 39' ' ' ILE . 53.4 t -64.79 -44.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -173.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.07 -45.37 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.21 -48.08 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.83 -48.01 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' Y' ' 14' ' ' LEU . . . -51.69 -48.55 49.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.15 74.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.94 -52.27 65.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.16 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.72 -35.67 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.24 88.06 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Y' ' 29' ' ' VAL . 38.3 mm -67.01 -41.29 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 111.237 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.91 -41.31 97.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.54 84.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 44.7 t80 -62.79 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.29 -35.23 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.16 86.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 23.6 t80 -55.3 -47.36 75.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 171.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.48 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.04 -23.15 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.97 11.19 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.44 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 -177.461 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.43 128.7 37.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.66 27.01 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.24 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.212 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.84 66.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.25 -32.84 52.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.724 1.616 . . . . 0.0 111.221 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.07 -42.13 93.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.76 91.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.97 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.53 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.86 -36.61 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.474 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.6 mt -73.94 -31.28 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.52 92.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.67 -46.71 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.81 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.21 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.34 -48.06 79.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.13 79.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.24 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.0 90.23 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.94 -35.02 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.162 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.07 95.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.23 -39.99 96.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.42 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.92 -50.62 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' A' ' 39' ' ' ILE . 53.4 t -64.86 -44.33 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.43 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.17 -48.0 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.87 -48.07 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.62 -39.38 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' V' ' 14' ' ' LEU . . . -51.68 -48.63 49.54 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.07 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.42 65.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -66.52 -35.79 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -43.27 87.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Z' ' 29' ' ' VAL . 38.5 mm -66.89 -41.42 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.77 -41.31 97.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.22 -36.59 84.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 44.8 t80 -62.83 -39.1 93.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.33 79.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.25 86.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 23.6 t80 -55.28 -47.35 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.47 -31.87 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.01 -23.18 62.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.11 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.42 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.203 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -177.513 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 128.71 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -172.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.74 -8.28 56.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.226 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.88 116.87 66.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.24 -32.92 52.65 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.262 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.17 87.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.12 -42.12 94.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.85 91.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.04 93.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.6 96.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.236 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.43 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.06 -41.33 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -73.93 -31.3 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.13 -45.02 94.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 172.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.69 -46.72 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.33 -48.31 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.33 -48.03 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.52 -35.24 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.7 -42.26 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.76 -35.06 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 111.252 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.31 -40.05 96.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.42 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.54 68.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' B' ' 39' ' ' ILE . 53.3 t -64.82 -44.49 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.93 -45.36 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.206 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.28 -47.97 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.83 -48.07 88.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.67 -39.4 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' F' ' 14' ' ' LEU . . . -51.65 -48.61 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.21 -46.02 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.34 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.64 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.25 88.02 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 29' ' ' VAL . 38.4 mm -67.0 -41.34 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.32 97.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.19 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 44.6 t80 -62.81 -39.14 93.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.274 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.22 -35.26 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.247 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 23.7 t80 -55.34 -47.34 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 171.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.48 -31.91 73.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -71.0 -23.22 62.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.09 38.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.41 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.269 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -177.483 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.62 37.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.63 26.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.8 -8.25 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 111.216 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.82 66.17 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.86 52.62 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.705 1.604 . . . . 0.0 111.225 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -47.17 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.14 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.8 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.55 97.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.251 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.59 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.83 -41.47 97.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -73.96 -31.32 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.21 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.2 -44.88 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.49 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.63 -46.82 88.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.8 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.32 -48.24 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.11 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.45 -44.07 90.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -68.82 -35.14 76.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.01 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.247 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.28 -40.01 96.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.47 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.62 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' C' ' 39' ' ' ILE . 53.4 t -64.84 -44.33 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 -173.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.04 -45.38 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.06 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.07 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.57 -39.45 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' GLY . . . . . 0.48 ' HA2' HD21 ' X' ' 14' ' ' LEU . . . -51.66 -48.68 49.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.11 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.81 -52.42 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.24 88.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' B' ' 29' ' ' VAL . 38.3 mm -66.92 -41.34 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.16 -36.55 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 44.9 t80 -62.8 -39.17 93.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.17 -35.29 79.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.14 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 23.4 t80 -55.35 -47.35 75.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 171.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.44 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.96 -23.21 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.9 11.19 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.4 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.189 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -177.527 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.43 128.69 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.71 26.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.79 -8.29 56.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 111.162 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.82 66.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.32 -32.81 53.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.626 1.551 . . . . 0.0 111.197 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.23 87.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.25 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.237 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.43 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.208 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.9 mt -73.9 -31.31 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.258 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.26 -44.87 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 172.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.5 92.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.69 -46.8 88.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.72 95.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.233 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -54.38 -48.24 71.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.65 -35.14 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.64 -42.36 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.23 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -43.98 90.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.05 95.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.27 -39.98 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.207 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.45 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.05 -50.58 67.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' D' ' 39' ' ' ILE . 53.2 t -64.78 -44.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -173.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.21 -47.98 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.1 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.48 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' H' ' 14' ' ' LEU . . . -51.65 -48.63 49.38 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.1 75.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.218 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.28 65.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.276 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.68 -35.73 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.24 87.9 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' C' ' 29' ' ' VAL . 38.5 mm -66.97 -41.34 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.173 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.89 -41.3 97.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.55 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 45.0 t80 -62.78 -39.15 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.27 -35.27 79.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.25 86.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.276 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 23.8 t80 -55.27 -47.32 75.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 171.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.87 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 59.9 p -71.0 -23.28 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.76 11.05 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.245 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.73 34.41 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -177.49 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.76 0.314 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.36 128.66 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.14 -19.63 27.09 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.27 56.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.21 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.84 116.84 66.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.33 -32.8 53.0 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.564 . . . . 0.0 111.209 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.22 87.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.0 -42.21 93.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.215 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.78 91.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.05 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.64 96.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.77 -36.56 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.91 -41.4 97.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.198 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.93 -31.32 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.85 94.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.59 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.6 -46.83 88.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.81 95.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.38 -48.15 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -48.06 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.64 -35.2 79.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.62 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.02 90.22 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.8 -35.16 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.13 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.16 -40.08 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.41 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.63 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.96 -45.43 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.93 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.83 -48.04 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 34' ' ' GLY . . . . . 0.49 ' HA2' HD21 ' D' ' 14' ' ' LEU . . . -51.63 -48.63 49.25 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.17 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 111.22 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.84 -52.39 65.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.72 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.22 88.01 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' D' ' 29' ' ' VAL . 38.3 mm -67.0 -41.32 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.205 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.23 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.61 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 44.9 t80 -62.77 -39.15 93.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.21 -35.31 79.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.17 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 23.4 t80 -55.3 -47.33 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 171.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.46 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.96 -23.17 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.87 11.12 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.79 34.36 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -177.454 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.861 0.362 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.69 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.17 -19.63 27.03 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.83 -8.19 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.92 116.82 66.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.29 -32.84 52.87 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.663 1.576 . . . . 0.0 111.153 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.15 87.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.84 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.02 93.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.54 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.84 -36.56 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.181 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.38 97.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 14' ' ' LEU . . . . . 0.483 HD21 ' HA2' ' X' ' 34' ' ' GLY . 93.5 mt -74.01 -31.32 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.21 -44.91 94.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.51 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.252 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.69 -46.83 88.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.83 95.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.42 -48.16 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.47 -48.05 79.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.5 -35.19 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.8 -42.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.42 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.231 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.28 -40.0 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.92 -43.37 73.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.64 67.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' O' ' 39' ' ' ILE . 53.2 t -64.86 -44.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -173.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.1 -45.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.29 -48.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.58 -39.52 82.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.61 -48.62 49.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.06 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.95 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.198 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -43.22 88.31 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.0 -41.41 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.188 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.27 97.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.213 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.27 -36.45 84.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 44.8 t80 -62.84 -39.11 93.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.3 -35.23 79.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.16 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.265 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.31 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -71.06 -23.13 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.9 11.14 38.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.77 34.39 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -177.45 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.76 0.315 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.6 37.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.71 26.63 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.72 -8.32 56.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.78 65.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.84 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.688 1.592 . . . . 0.0 111.208 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.14 -42.11 94.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.97 93.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.46 97.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.96 -36.51 72.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.41 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' T' ' 34' ' ' GLY . 93.5 mt -74.0 -31.22 62.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.31 -44.86 95.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 172.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.61 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.56 -46.82 88.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.75 95.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.36 -48.19 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.238 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.06 79.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.57 -35.22 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -175.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.71 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.16 89.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.79 -35.09 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.201 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.02 96.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.44 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.59 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 29' ' ' VAL . . . . . 0.423 HG21 HD12 ' P' ' 39' ' ' ILE . 53.3 t -64.89 -44.37 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -173.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.41 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.01 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.88 -47.95 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.237 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.62 49.86 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.11 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.221 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.241 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.54 -35.71 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.26 88.17 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.92 -41.39 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.239 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.41 97.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.16 -36.51 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 44.9 t80 -62.78 -39.2 93.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.267 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.07 -35.37 79.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.17 86.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.32 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 171.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.44 -31.97 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -70.97 -23.24 62.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.84 11.18 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.22 174.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.36 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -177.432 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.67 37.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.65 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.76 -8.25 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.95 116.86 66.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.31 -32.81 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.727 1.618 . . . . 0.0 111.208 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.26 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.22 93.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.86 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.98 93.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -60.64 -43.54 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.62 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.44 97.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.232 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 14' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' U' ' 34' ' ' GLY . 93.6 mt -73.97 -31.26 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.28 -44.85 94.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.53 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.7 -46.78 89.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.207 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.3 -48.25 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.04 79.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.63 -35.18 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.76 -42.2 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.39 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.26 -40.01 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.44 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.57 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Q' ' 39' ' ' ILE . 53.4 t -64.93 -44.29 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -173.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.02 -45.34 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.233 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.94 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.267 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.91 -47.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.267 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.69 -39.39 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.11 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.234 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.85 -52.36 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.34 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.03 -41.26 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.232 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.15 -36.53 84.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 44.9 t80 -62.85 -39.18 93.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.189 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.35 79.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.23 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 23.8 t80 -55.35 -47.25 76.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.54 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -23.18 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.99 11.33 37.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.86 34.3 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -177.444 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.66 37.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -19.67 26.93 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.83 -8.21 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 111.228 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.81 66.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -32.82 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.657 1.572 . . . . 0.0 111.227 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.21 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.241 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.86 91.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.96 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.85 -36.52 72.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.232 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.41 97.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' V' ' 34' ' ' GLY . 93.7 mt -74.0 -31.29 62.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.9 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.53 92.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.69 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.34 -48.17 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.264 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.01 79.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.12 79.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.76 -42.24 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 173.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -43.99 90.4 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.86 -35.13 76.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.29 -39.96 96.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.45 73.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.64 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' R' ' 39' ' ' ILE . 53.5 t -64.91 -44.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -173.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.04 -45.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.192 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.3 -47.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.96 -48.05 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.63 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.75 -48.51 50.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.09 75.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.225 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 99.7 m -56.9 -52.32 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.66 -35.74 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.26 87.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.92 -41.36 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.276 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.23 -36.5 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.2 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.27 79.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.13 86.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 23.5 t80 -55.34 -47.35 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.47 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -70.99 -23.21 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 175.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.27 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.32 5.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 -177.502 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.768 0.318 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.67 37.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.74 -8.41 56.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.84 116.88 66.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.25 -32.95 52.96 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.732 1.621 . . . . 0.0 111.148 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.13 -42.07 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.79 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.94 92.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.57 97.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.85 -36.59 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.89 -41.42 97.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' W' ' 34' ' ' GLY . 93.6 mt -73.95 -31.39 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.98 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.61 92.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.83 88.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.82 95.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.36 -48.25 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.37 -48.04 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.23 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -43.96 90.52 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.19 -40.03 96.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.96 -50.67 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' S' ' 39' ' ' ILE . 53.3 t -64.79 -44.38 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -173.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.28 -48.0 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.86 -48.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.53 -39.57 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.17 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.81 -52.34 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.7 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.96 -41.39 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.323 . . . . 0.0 111.155 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.21 -36.52 84.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.273 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 44.7 t80 -62.74 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.221 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.2 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.45 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 23.7 t80 -55.33 -47.37 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 171.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.46 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 175.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.9 11.27 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.93 34.48 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -177.479 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.804 0.335 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.66 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.61 26.95 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -172.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.23 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 111.224 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.9 116.84 66.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.22 -32.96 52.69 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.713 1.609 . . . . 0.0 111.138 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.12 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.2 -42.11 94.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.77 91.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.251 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.06 93.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.5 97.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.255 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.98 -36.48 72.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.188 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.0 -41.32 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -74.09 -31.22 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.26 -44.89 94.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.71 -46.73 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -44.79 95.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.46 -48.15 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.61 -35.23 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.69 -42.21 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.37 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.07 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.19 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.99 95.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.245 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.29 -39.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.66 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' T' ' 39' ' ' ILE . 53.1 t -64.76 -44.45 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.02 -45.31 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.25 -47.99 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -48.02 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.64 -48.59 49.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.11 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.89 -52.3 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.67 -35.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.14 -43.17 88.76 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' J' ' 29' ' ' VAL . 38.3 mm -66.99 -41.35 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.193 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.29 97.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.2 -36.5 84.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.24 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.05 -35.43 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 23.6 t80 -55.34 -47.31 75.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 171.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.42 -31.96 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -70.93 -23.25 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.88 11.22 38.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.38 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -177.368 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.35 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.71 38.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.247 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.14 -19.64 27.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.71 -8.35 56.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.851 0.357 . . . . 0.0 111.217 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.88 116.84 66.3 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.21 -32.96 52.55 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.683 1.589 . . . . 0.0 111.241 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.21 87.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.08 -42.2 94.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.84 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.93 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.53 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.84 -36.55 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.03 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' Y' ' 34' ' ' GLY . 93.5 mt -73.98 -31.34 62.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.24 -44.87 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.39 -48.17 71.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.06 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.22 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.24 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.14 89.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.79 -35.1 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.09 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.207 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.28 -40.01 96.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.03 -50.56 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' U' ' 39' ' ' ILE . 53.2 t -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.245 -173.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.04 -45.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.21 -48.08 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.85 -48.0 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.67 -39.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.65 49.41 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.23 88.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' ILE . . . . . 0.423 HD12 HG21 ' K' ' 29' ' ' VAL . 38.5 mm -66.93 -41.39 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.31 97.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.39 -36.39 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 44.7 t80 -62.83 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -35.37 79.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.19 86.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.41 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 171.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.39 -31.92 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.29 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.84 11.25 37.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 174.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.86 34.41 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 -177.516 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.4 128.7 37.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.13 -19.62 27.14 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.82 -8.2 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.83 66.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.29 -32.88 53.05 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.677 1.585 . . . . 0.0 111.154 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.0 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.6 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.8 -36.55 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.215 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' Z' ' 34' ' ' GLY . 93.7 mt -73.97 -31.26 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.87 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.46 91.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.62 -46.85 88.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.83 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.44 -48.13 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.52 -47.94 79.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.6 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -175.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.05 90.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.06 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.143 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.97 95.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.238 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.07 96.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.43 73.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.187 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.96 -50.61 67.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' V' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.31 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -48.01 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.83 -48.06 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.52 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.53 50.02 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.12 74.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.753 0.311 . . . . 0.0 111.156 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.34 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.81 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.2 88.04 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' L' ' 29' ' ' VAL . 38.3 mm -67.0 -41.33 87.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.25 -36.48 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 45.0 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.16 -35.35 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.11 86.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 24.0 t80 -55.33 -47.33 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 171.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.47 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.253 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.24 62.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.281 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.88 34.4 4.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -177.472 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.36 128.66 37.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.72 26.83 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.79 -8.22 56.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.242 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.85 116.8 66.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.19 -32.86 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.661 1.574 . . . . 0.0 111.309 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.24 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.84 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.96 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.55 96.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.48 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -61.98 -41.36 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 14' ' ' LEU . . . . . 0.482 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -74.01 -31.33 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.17 -45.0 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.77 95.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.204 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.16 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.64 -42.26 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.96 90.73 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.88 -35.16 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.15 94.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -63.32 -39.96 96.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.38 73.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.55 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' W' ' 39' ' ' ILE . 53.4 t -64.8 -44.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -45.37 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.08 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.6 -39.56 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.58 -48.55 49.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.88 -52.34 65.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.66 -35.76 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.91 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 39' ' ' ILE . . . . . 0.418 HD12 HG21 ' M' ' 29' ' ' VAL . 38.4 mm -66.87 -41.39 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.9 -41.23 97.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.53 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 42' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.37 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 45' ' ' PHE . . . . . 0.436 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 24.1 t80 -55.19 -47.46 75.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 171.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.43 -31.9 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.86 11.26 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.33 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -177.422 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.31 128.63 37.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.66 27.04 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.73 -8.28 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.242 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.86 116.75 65.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.11 -32.88 51.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.629 1.552 . . . . 0.0 111.292 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.22 87.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.02 -42.13 93.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.263 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.84 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.89 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.64 -43.48 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.221 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.9 -36.51 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.49 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 14' ' ' LEU . . . . . 0.469 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.97 -31.32 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.9 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.65 92.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.64 -46.82 88.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.69 95.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.49 -48.03 79.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.19 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.78 -42.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.98 90.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.88 -35.09 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.04 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.2 -40.04 96.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.4 73.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 29' ' ' VAL . . . . . 0.427 HG21 HD12 ' X' ' 39' ' ' ILE . 53.4 t -64.81 -44.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.05 -45.28 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.33 -47.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.91 -48.03 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.47 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.19 -46.11 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.82 -52.38 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.62 -35.67 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.13 88.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' N' ' 29' ' ' VAL . 38.5 mm -66.96 -41.34 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.808 0.337 . . . . 0.0 111.267 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.28 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 44.8 t80 -62.72 -39.21 93.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.228 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.35 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.209 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.38 -37.09 86.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 23.8 t80 -55.42 -47.29 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.5 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.9 -23.33 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.87 11.24 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.38 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.249 -177.508 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.3 128.64 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.13 -19.61 27.14 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -172.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.76 -8.26 56.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 111.282 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.83 66.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.3 -32.84 52.93 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.71 1.606 . . . . 0.0 111.169 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.25 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.9 91.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.95 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.219 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.5 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.59 72.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.87 -41.48 97.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.6 mt -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.51 91.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.59 -46.85 88.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.82 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.33 -48.19 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.47 -48.08 79.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.18 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.19 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -44.04 90.52 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -68.78 -35.13 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 111.265 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.01 95.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -40.03 96.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.75 -43.43 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.63 67.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' Y' ' 39' ' ' ILE . 53.4 t -64.78 -44.44 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.0 -45.34 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.22 -48.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.76 -48.08 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.282 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.51 -39.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' K' ' 14' ' ' LEU . . . -51.64 -48.61 49.35 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.0 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.277 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.93 -52.32 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.21 88.03 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' O' ' 29' ' ' VAL . 38.2 mm -67.03 -41.32 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.34 97.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.22 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 45.0 t80 -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.4 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 23.4 t80 -55.26 -47.44 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 171.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.43 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p -70.98 -23.32 62.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.2 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.43 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -177.462 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.792 0.33 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.41 128.63 37.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.25 -19.66 26.79 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.25 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 0.0 111.182 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.87 116.85 66.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.25 -32.93 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.719 1.613 . . . . 0.0 111.126 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.19 87.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.2 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.81 91.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.04 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.41 97.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.58 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.85 -41.49 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 14' ' ' LEU . . . . . 0.489 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.6 mt -73.97 -31.23 62.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.88 95.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 172.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.41 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.266 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.7 -46.83 88.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.43 -48.16 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.07 79.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.63 -35.22 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.209 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.09 90.04 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.83 -35.13 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.179 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.97 95.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.22 -40.06 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.63 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Z' ' 39' ' ' ILE . 53.3 t -64.78 -44.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -173.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.95 -45.38 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.216 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.24 -48.0 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -47.98 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.72 -39.36 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 34' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' L' ' 14' ' ' LEU . . . -51.69 -48.62 49.68 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.08 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.211 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.4 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.06 88.61 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' P' ' 29' ' ' VAL . 38.2 mm -67.06 -41.32 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.17 -36.53 84.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 44.9 t80 -62.94 -39.03 93.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.241 175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.16 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 23.8 t80 -55.3 -47.33 75.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -65.51 -31.85 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p -71.02 -23.19 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.11 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.83 34.48 4.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -177.505 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.763 0.316 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.68 37.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.28 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.147 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.86 116.79 66.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.223 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.22 -32.86 52.24 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.652 1.568 . . . . 0.0 111.246 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.11 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.16 -42.06 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.9 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.97 93.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.57 97.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.4 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.7 mt -74.0 -31.3 62.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.86 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.261 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.87 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.34 -48.2 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.05 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.15 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.69 -42.22 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.244 173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.06 90.33 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.77 -35.16 76.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.05 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -39.91 95.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.36 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.72 67.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 29' ' ' VAL . . . . . 0.417 HG21 HD12 ' A' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.02 -45.32 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.79 -48.08 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 34' ' ' GLY . . . . . 0.479 ' HA2' HD21 ' M' ' 14' ' ' LEU . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.33 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.58 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.15 -43.13 88.81 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 39' ' ' ILE . . . . . 0.425 HD12 HG21 ' Q' ' 29' ' ' VAL . 38.3 mm -67.01 -41.35 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.188 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 45.1 t80 -62.85 -39.15 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 175.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.44 79.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.25 -37.2 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 175.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 23.4 t80 -55.39 -47.3 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.45 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.24 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.98 -23.13 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.19 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.38 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 -177.461 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.825 0.345 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.69 37.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.7 26.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.78 -8.23 56.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.2 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.77 65.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.255 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.16 -32.85 51.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.632 1.555 . . . . 0.0 111.283 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.13 -42.08 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.87 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.03 93.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.55 -43.54 97.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.51 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.87 -41.45 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -74.03 -31.25 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.88 95.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.68 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.68 95.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.54 -48.14 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.06 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.71 -42.29 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.46 -44.04 90.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.82 -35.1 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.0 95.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.218 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -40.01 96.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.54 73.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.58 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' B' ' 39' ' ' ILE . 53.5 t -64.89 -44.35 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -173.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.31 -47.99 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.88 -48.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.57 -39.51 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' N' ' 14' ' ' LEU . . . -51.72 -48.56 49.98 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.1 75.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.217 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.92 -52.34 65.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.67 -35.66 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.19 88.25 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' R' ' 29' ' ' VAL . 38.3 mm -66.96 -41.42 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 111.211 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.21 97.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.252 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.56 84.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 44.7 t80 -62.75 -39.24 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.32 79.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.266 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.09 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.37 75.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 171.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 62.8 p -65.4 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.92 -23.24 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.89 11.22 38.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.49 4.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 -177.398 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.65 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.92 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.82 -8.21 56.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.19 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.88 116.8 66.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.28 -32.88 52.91 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.698 1.599 . . . . 0.0 111.152 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.3 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.77 91.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.02 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.53 -43.58 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.9 -36.47 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.02 -41.34 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -74.06 -31.22 62.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.28 -44.85 94.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.51 91.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.85 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.31 -48.24 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.26 79.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.1 90.18 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.74 -35.16 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.179 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.01 96.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.246 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.75 67.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' C' ' 39' ' ' ILE . 53.3 t -64.74 -44.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.0 -45.3 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.267 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -48.12 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.7 -39.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 34' ' ' GLY . . . . . 0.483 ' HA2' HD21 ' J' ' 14' ' ' LEU . . . -51.75 -48.58 50.15 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.19 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 99.9 m -56.97 -52.3 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.66 -35.68 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.12 88.63 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 39' ' ' ILE . . . . . 0.427 HD12 HG21 ' S' ' 29' ' ' VAL . 38.4 mm -66.98 -41.36 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 111.197 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.4 97.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -36.5 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 45.0 t80 -62.8 -39.14 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.218 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.32 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.16 86.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 23.8 t80 -55.34 -47.35 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.38 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p -70.98 -23.15 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.89 11.2 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.39 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 -177.417 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.37 128.66 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.63 27.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -172.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.85 -8.28 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.78 116.83 66.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.32 -32.89 53.35 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.7 1.6 . . . . 0.0 111.16 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.21 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.19 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.53 97.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.56 72.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.89 -41.41 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.5 mt -74.08 -31.17 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.99 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.58 92.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.85 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.74 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.43 -48.14 72.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.13 79.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.67 -42.29 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.05 90.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.73 -35.19 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 111.235 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.03 95.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.06 96.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.39 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.58 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' D' ' 39' ' ' ILE . 53.3 t -64.82 -44.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -173.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.99 -45.26 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.35 -47.95 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -48.04 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.67 -39.46 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' P' ' 14' ' ' LEU . . . -51.63 -48.64 49.23 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.87 -52.35 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.6 -35.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -43.28 87.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' T' ' 29' ' ' VAL . 38.7 mm -66.92 -41.41 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.176 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.26 97.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.25 -36.47 84.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 44.9 t80 -62.89 -39.12 93.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.29 79.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.22 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 23.7 t80 -55.23 -47.35 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.264 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.38 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.216 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -71.06 -23.21 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.79 11.12 38.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.38 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -177.467 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.65 37.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.27 -19.75 26.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.7 -8.28 56.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.95 116.86 66.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.87 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.664 1.576 . . . . 0.0 111.18 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.08 -42.14 93.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.75 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.6 97.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -41.44 97.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.6 mt -73.95 -31.19 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.97 94.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.55 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.59 -46.86 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.72 95.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.48 -48.13 72.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.24 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.71 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.35 -44.14 89.76 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.81 -35.07 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.03 95.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.33 -40.01 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.42 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.6 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.84 -44.37 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 -173.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.91 -45.45 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.21 -47.96 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.261 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -48.06 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' Q' ' 14' ' ' LEU . . . -51.69 -48.57 49.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.24 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.91 -52.32 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.22 88.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' U' ' 29' ' ' VAL . 38.4 mm -66.96 -41.37 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 42' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.32 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.18 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 45' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 23.9 t80 -55.27 -47.4 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 171.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -65.4 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.247 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.97 -23.31 62.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.79 11.13 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.79 34.4 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.201 -1.492 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -177.469 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.759 0.314 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.27 128.61 37.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.58 27.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.25 56.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.84 66.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.3 -32.87 53.05 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.674 1.583 . . . . 0.0 111.186 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.31 87.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.218 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.17 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.87 91.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.94 93.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.54 97.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.93 -36.53 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.85 -41.45 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.04 -31.28 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.52 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.25 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.41 -48.18 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.17 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.72 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.03 90.34 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.79 -35.11 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.224 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.01 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -39.93 95.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.44 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.77 -44.38 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.0 -45.39 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -47.97 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.85 -48.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.62 -39.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -48.56 50.42 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.88 -52.29 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -43.2 88.5 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 38.2 mm -66.96 -41.33 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.698 0.285 . . . . 0.0 111.155 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.28 97.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.84 -39.25 93.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.34 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.3 -37.19 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.32 -47.31 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.41 -31.99 73.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p -70.94 -23.26 62.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.86 11.22 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.91 34.37 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -177.432 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.7 37.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.232 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.69 26.87 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.73 -8.27 56.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.97 116.88 66.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.31 -32.81 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.68 1.587 . . . . 0.0 111.197 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.14 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.06 -42.15 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.81 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.47 -43.55 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.284 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.91 -36.49 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.95 -41.42 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.95 -31.36 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.21 -44.91 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.83 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.73 95.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.4 -48.17 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -48.1 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.17 79.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.78 -42.18 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.57 -43.95 90.88 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.26 -39.99 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.44 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.66 67.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.82 -44.37 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.94 -45.4 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.21 -48.04 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 -177.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.57 -39.49 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.73 -48.56 50.03 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.14 75.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.38 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.15 88.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.96 -41.37 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.202 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.92 -41.25 97.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.22 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.67 -39.28 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.223 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.29 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.211 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.16 86.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -47.26 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 171.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.52 -32.0 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.114 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.93 -23.18 62.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.23 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -177.408 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.28 128.66 37.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.63 27.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.8 -8.27 56.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.85 116.89 66.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.97 53.05 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.18 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.02 -42.23 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.22 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.92 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.64 97.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.81 -36.54 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.233 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.88 -41.4 97.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.241 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.38 62.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.94 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.48 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.6 -46.9 88.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.87 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.3 -48.23 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.1 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.66 -35.12 79.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.66 -42.25 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.03 90.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -34.98 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.0 95.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.51 72.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.59 67.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.84 -44.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.03 -45.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.18 -48.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.94 -47.95 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.64 -39.48 82.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.69 -48.56 49.83 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.09 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 111.151 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.96 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.37 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.11 -41.23 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 111.171 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.33 97.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.253 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.17 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.75 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.245 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.36 79.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.32 -47.34 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.54 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.02 -23.26 62.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.21 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.92 34.46 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 -177.489 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.83 0.348 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.54 37.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.75 26.58 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.75 -8.23 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.83 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.85 52.43 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.744 1.629 . . . . 0.0 111.24 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.25 87.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.15 94.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.51 -43.57 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.82 -36.56 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.45 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.98 -31.32 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.9 94.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.176 172.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.59 92.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.58 -46.83 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.81 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.36 -48.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.272 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.96 79.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.27 79.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -175.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.63 -42.19 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.254 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.02 90.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.23 -40.08 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.55 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.6 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.8 -44.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.09 -45.29 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.81 -48.04 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.63 -48.61 49.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.13 75.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.329 . . . . 0.0 111.152 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 99.1 m -56.91 -52.35 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.206 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.18 88.4 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.08 -41.35 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.13 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.32 97.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.209 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.25 -36.49 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.13 -35.29 79.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.42 -37.12 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.26 -47.38 75.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.48 -31.85 73.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.172 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.06 -23.17 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.88 11.21 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.42 4.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.27 128.66 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -19.65 26.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.86 -8.25 56.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.169 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -83.0 116.81 66.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.89 52.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.712 1.608 . . . . 0.0 111.145 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.86 91.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.95 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.54 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.47 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.29 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.19 -44.92 94.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.24 172.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.5 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.67 -46.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.85 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.35 -48.24 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.42 -48.02 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.23 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.6 -42.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.42 -44.06 90.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.84 -35.14 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.165 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.03 95.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.0 96.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.08 -50.55 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -44.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.34 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.235 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.28 -47.99 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.88 -48.0 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.265 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.58 -39.48 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -48.6 50.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.06 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.285 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.57 -35.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.21 88.32 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.99 -41.28 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.26 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.53 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.82 -39.17 93.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.35 79.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.42 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.188 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -71.01 -23.2 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.93 11.21 38.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.88 34.41 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 -177.5 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.44 128.68 37.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.72 26.84 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.69 -8.37 56.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 111.268 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.76 116.84 66.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.26 -32.92 52.92 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 121.683 1.589 . . . . 0.0 111.173 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.1 93.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.296 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.88 91.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.46 -43.62 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.253 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.4 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.0 -31.32 62.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.17 -44.95 94.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.6 -46.85 88.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.73 95.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.99 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.77 -42.2 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.92 90.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -35.1 76.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.107 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.09 95.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.178 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.15 -40.05 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.255 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.48 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.04 -50.59 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.89 -44.28 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -173.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.42 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.97 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.9 -47.95 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.5 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.19 75.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.169 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.87 -52.39 65.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.6 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.14 88.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.4 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.13 -36.53 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.84 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.39 79.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.15 86.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.37 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.46 -31.92 73.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.96 11.14 38.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.76 34.35 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.25 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -177.425 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.752 0.31 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.37 128.61 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.69 26.83 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -172.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.77 -8.27 56.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.239 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.83 66.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.23 -32.93 52.67 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.745 1.63 . . . . 0.0 111.201 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.15 87.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.09 -42.13 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.75 91.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.06 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.58 96.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.88 -36.48 72.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.95 -41.39 97.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.24 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.91 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.82 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 94.1 m -54.32 -48.23 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.262 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -47.99 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.264 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.71 -35.12 79.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.8 -42.17 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.11 89.93 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.07 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.01 95.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.23 -40.08 96.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.45 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.61 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.79 -44.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.9 -45.45 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.22 -48.03 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -47.98 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.24 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.57 -39.47 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.91 -52.37 65.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.68 -35.69 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.2 88.2 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.01 -41.42 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 111.143 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.21 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.36 -36.47 84.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.81 -39.21 93.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.34 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.24 86.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.26 -47.45 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.2 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.94 -23.26 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.24 38.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.92 34.44 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.62 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -172.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.83 -8.22 56.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.195 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.89 116.86 66.38 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.25 -32.9 52.73 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.694 1.596 . . . . 0.0 111.189 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.22 87.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.19 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.17 -42.08 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.82 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.6 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.88 -41.45 97.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.94 -31.25 62.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.9 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.19 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.82 88.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.85 95.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.226 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.37 -48.14 71.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.268 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.05 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.3 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.64 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.01 90.33 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.81 -35.17 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.14 94.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -39.99 96.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.1 -50.52 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.86 -44.34 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.32 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.32 -48.01 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.88 -48.03 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.55 -39.49 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.7 -48.55 49.92 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.15 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.91 -52.32 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.72 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.18 88.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.12 -41.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.704 0.288 . . . . 0.0 111.075 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.163 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.16 -36.59 84.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.84 -39.1 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 175.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 62.2 p -65.49 -31.82 73.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.204 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -71.05 -23.21 62.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.14 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.47 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.475 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.302 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.42 128.72 38.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.184 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.17 -19.67 26.98 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -172.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.22 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.83 66.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.26 -32.82 52.43 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.66 1.574 . . . . 0.0 111.271 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -47.13 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.2 -42.08 94.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.82 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.52 97.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.94 -36.51 72.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.24 -44.92 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 172.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.57 92.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.89 88.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.77 95.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.38 -48.24 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.46 -48.08 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.54 -35.21 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.7 -42.23 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.234 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.36 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.89 -35.05 76.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.08 94.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.247 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.04 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.53 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.194 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.6 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.82 -44.4 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.224 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.99 -45.39 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.0 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.83 -48.16 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.53 -39.45 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.6 49.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.1 75.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.234 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.24 88.05 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.36 87.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.33 97.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.48 84.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.92 -39.09 93.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.35 -47.36 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.46 -31.89 73.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -23.19 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.08 38.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.85 34.37 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.199 -177.511 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.824 0.345 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.21 -31.51 55.87 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.691 1.594 . . . . 0.0 111.151 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.76 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.41 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.263 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.08 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.27 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.41 -38.1 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.33 -41.17 98.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.55 -33.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.41 97.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.38 90.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.48 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -55.59 -45.17 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.52 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.43 -43.77 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 168.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.13 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.84 -45.03 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.72 -49.47 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.84 -28.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' R' ' 10' ' ' ALA . 22.4 t -64.74 -43.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.33 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.2 -51.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -65.0 -42.35 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.01 8.6 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.01 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.223 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.98 -54.11 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -48.08 75.03 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.57 -41.19 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.59 76.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -36.07 83.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 53.1 t80 -64.99 -36.98 86.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 3.6 t80 -56.48 -50.01 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 172.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -64.91 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 172.654 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.875 0.369 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.29 -31.46 56.59 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.752 1.635 . . . . 0.0 111.188 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.66 81.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.44 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.3 -45.36 88.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.99 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.11 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -62.35 -41.2 98.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.51 -33.23 70.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.41 90.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.77 -48.42 81.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.24 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.71 -48.05 82.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.54 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.32 -43.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.6 82.96 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.56 -43.01 95.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.228 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.16 89.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TRP . . . . . 0.401 ' O ' HG23 ' B' ' 30' ' ' VAL . 23.7 m95 -67.91 -45.01 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.82 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.266 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.48 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.241 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' B' ' 10' ' ' ALA . 22.4 t -64.72 -43.43 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.52 -43.9 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -51.74 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.236 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.04 -42.37 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.06 8.44 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.95 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.294 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.0 -54.14 49.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.47 -32.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.14 75.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.4 -41.25 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.251 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.01 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 53.2 t80 -64.94 -37.01 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.91 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.285 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.208 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 3.7 t80 -56.48 -50.04 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 73.7 p -64.8 -29.73 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.21 -31.51 55.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.69 1.593 . . . . 0.0 111.207 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.67 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.37 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.93 96.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.214 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.39 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.09 -50.84 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.32 -38.17 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.33 -41.14 98.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.22 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.155 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.51 97.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.08 -44.03 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.57 -45.17 77.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.224 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.37 -43.87 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 168.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.6 -41.57 82.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.61 -43.0 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.76 -45.15 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.63 -49.46 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -173.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.75 -43.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.3 -51.73 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.98 -42.38 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.99 8.7 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.05 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.07 -54.06 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.69 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -47.99 76.96 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.6 76.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.36 -35.89 82.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 53.3 t80 -65.0 -37.01 86.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.19 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.79 -35.86 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 3.6 t80 -56.63 -49.95 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.2 p -64.87 -29.64 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 172.641 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.22 -31.53 56.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.713 1.609 . . . . 0.0 111.131 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.68 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.204 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.4 79.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.08 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.28 -45.32 88.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.14 -50.75 72.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.29 -41.17 98.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.52 -33.29 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.48 97.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.39 90.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.98 -44.12 97.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.46 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.55 -48.15 81.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.55 60.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.31 -43.9 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 168.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.49 82.53 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.62 -43.07 94.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 111.158 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.22 89.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.82 -45.04 75.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -43.9 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.59 -49.59 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.82 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' U' ' 10' ' ' ALA . 22.9 t -64.64 -43.48 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.278 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.37 -44.01 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -51.73 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.07 -42.31 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.43 -57.03 8.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -60.01 -54.06 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.238 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.66 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.1 75.46 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.52 -41.09 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.267 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.68 -43.58 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.26 -36.01 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.211 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 53.5 t80 -64.92 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.9 82.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.97 76.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 3.7 t80 -56.51 -50.06 72.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.207 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -64.83 -29.81 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.129 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 172.755 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -31.59 55.19 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.824 1.683 . . . . 0.0 111.256 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.74 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.229 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.35 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.26 -45.29 88.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.17 -50.8 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.22 86.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.185 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.28 -41.17 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.58 -33.2 70.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.09 -41.5 97.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.41 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.02 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.45 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.56 -45.18 77.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.57 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.3 -43.89 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 168.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.5 82.57 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.07 94.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.95 -45.02 75.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.02 76.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.6 62.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.89 -28.75 34.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.273 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' E' ' 10' ' ' ALA . 22.8 t -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 172.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -51.78 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.06 -42.34 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.1 8.45 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.05 -54.0 51.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.54 -32.67 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.56 -41.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.57 -43.66 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.28 -36.01 82.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 53.1 t80 -64.94 -36.99 86.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.74 -35.97 82.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.93 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.0 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 172.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.84 -29.74 70.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 172.762 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.24 -31.46 55.93 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.733 1.622 . . . . 0.0 111.191 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.39 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.08 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.22 -45.3 88.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.1 -50.83 72.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.44 -38.18 86.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.22 -41.19 98.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.55 -33.31 70.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.96 -41.58 97.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.37 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.59 -45.11 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.228 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.2 81.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.64 -25.6 60.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 -173.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.33 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.53 83.12 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.277 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.12 89.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.08 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.89 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.49 62.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.93 -28.78 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' W' ' 10' ' ' ALA . 22.8 t -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -51.81 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.1 -42.26 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.0 8.58 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.11 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 111.143 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.03 -54.03 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.74 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.08 75.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.12 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.67 76.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.29 -35.9 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 52.9 t80 -65.03 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.272 173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.82 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.99 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.94 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 172.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 74.3 p -64.95 -29.65 70.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 172.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.78 0.324 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.13 -31.62 55.62 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.7 1.6 . . . . 0.0 111.209 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.71 81.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.41 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.27 -45.26 88.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.16 -50.82 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.233 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.35 -41.17 98.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.51 -33.27 71.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.58 97.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.47 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.95 -44.18 97.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.36 -45.35 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.5 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -173.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.44 -43.81 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.48 82.66 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.08 95.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 111.252 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.7 -45.14 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.98 77.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.56 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.83 -28.81 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' G' ' 10' ' ' ALA . 22.5 t -64.74 -43.44 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.3 -51.72 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.11 -42.29 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.12 8.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.13 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 111.218 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -59.97 -54.05 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.26 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.64 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -47.96 77.27 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.61 -41.1 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.336 . . . . 0.0 111.192 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.71 -43.58 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 53.0 t80 -65.05 -36.88 85.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 173.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.88 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -33.99 76.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 3.6 t80 -56.59 -50.05 73.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.68 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.17 172.717 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.77 0.319 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.53 55.67 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.719 1.613 . . . . 0.0 111.214 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.225 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.45 79.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.04 96.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.36 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.08 -50.79 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.27 86.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.51 -33.29 71.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.1 -41.51 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.4 90.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.216 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.53 81.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.45 -45.25 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.05 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.51 60.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.73 -41.53 83.02 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 171.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -42.99 95.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 111.176 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.19 89.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.8 -45.06 75.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.88 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.264 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.72 -49.55 62.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.9 -28.7 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.79 -43.47 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.39 -43.91 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -51.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.93 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.01 8.59 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.11 73.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.241 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -60.03 -54.08 50.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.05 76.02 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.54 -41.18 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.242 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.52 76.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.37 -35.96 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 52.9 t80 -64.99 -36.92 85.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.23 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.92 82.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.98 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 3.7 t80 -56.54 -50.01 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.23 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.23 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.76 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.801 0.334 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.13 -31.61 55.53 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.681 1.587 . . . . 0.0 111.188 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.39 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.1 96.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.44 88.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.83 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.4 -38.18 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.25 98.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.49 97.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.96 -44.11 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.54 -45.2 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.11 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.32 -43.79 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.263 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.52 83.09 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.03 94.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.08 89.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.237 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.89 -45.04 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.196 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.0 76.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.232 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.68 -49.53 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.69 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' Z' ' 10' ' ' ALA . 22.5 t -64.8 -43.46 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 172.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.4 -43.92 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -51.93 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.92 -42.29 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.13 8.49 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.1 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 111.236 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -60.0 -54.03 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.72 30.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.98 76.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.12 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.56 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.23 -35.99 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 53.6 t80 -65.06 -36.92 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.168 173.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.99 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 3.6 t80 -56.6 -49.91 73.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 172.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.87 -29.77 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 172.727 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.715 0.293 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.25 -31.5 56.25 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.738 1.626 . . . . 0.0 111.21 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.64 81.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.36 -42.32 79.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.04 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.218 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.33 88.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.11 85.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.63 -33.18 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.25 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.48 90.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.95 -44.19 97.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.45 81.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.28 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.55 -45.21 77.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.63 -48.1 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.78 -25.45 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.44 -43.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 168.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.53 82.99 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.09 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.234 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.58 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.88 -28.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 23.0 t -64.59 -43.52 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.33 -44.02 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -51.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.31 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.02 8.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.01 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.211 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -59.99 -54.15 49.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -175.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.59 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.17 75.12 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.43 -41.27 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.5 -43.7 75.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.98 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 53.2 t80 -65.02 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 173.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.12 77.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 3.6 t80 -56.44 -50.02 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 172.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 76.0 p -64.97 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.692 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.27 -31.42 56.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.68 1.587 . . . . 0.0 111.177 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.3 -42.36 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.02 96.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' T' ' 30' ' ' VAL . . . -64.28 -45.3 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.86 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.1 85.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.32 -41.28 98.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.43 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.52 97.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.42 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.95 -44.15 97.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.55 -45.15 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.66 -48.07 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.71 -25.54 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.37 -43.82 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.57 82.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.51 -43.14 95.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.196 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.25 89.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.218 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.77 -45.12 75.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.92 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -28.87 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.7 -43.41 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.278 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.42 -44.0 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.24 -51.73 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.54 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.04 -54.07 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.45 -32.66 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -48.04 76.52 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.15 90.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.51 -43.74 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -35.92 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 53.0 t80 -65.15 -36.87 85.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.96 82.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.94 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 3.6 t80 -56.57 -50.03 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 172.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.87 -29.62 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 172.705 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.796 0.331 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.17 -31.6 55.86 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.199 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.75 81.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.37 79.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.96 96.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' U' ' 30' ' ' VAL . . . -64.28 -45.29 88.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.78 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.38 -41.17 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.5 -33.23 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.41 90.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.212 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.43 -45.23 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.08 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.55 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.38 -43.79 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.56 82.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 171.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.08 94.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.26 89.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.69 -45.19 75.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.88 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.51 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.72 -43.43 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.97 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.2 -51.81 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.04 -42.32 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.05 8.55 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.09 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.239 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.94 -54.15 49.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.48 -32.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -47.98 76.6 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.08 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.174 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.6 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.24 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 53.5 t80 -65.0 -36.92 85.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.92 82.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.08 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.96 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 172.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -64.98 -29.68 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 172.724 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.817 0.342 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.12 -31.62 55.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.75 1.633 . . . . 0.0 111.159 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.65 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.32 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.205 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.37 88.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.11 -50.77 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.36 -38.12 85.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.34 -41.17 98.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.57 -33.16 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.19 -41.45 97.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.237 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.39 90.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.98 -44.15 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.41 -45.29 76.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.55 60.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.38 -43.88 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 168.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.52 82.65 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.15 94.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.75 -45.08 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.96 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.5 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.71 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.96 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.25 -51.7 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.14 -42.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.06 8.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.09 -54.04 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -175.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mm -74.53 -32.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.3 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.55 -41.08 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.747 0.308 . . . . 0.0 111.22 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.58 76.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.0 82.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 53.4 t80 -64.91 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 173.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.82 -35.98 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.98 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 75.9 p -64.99 -29.63 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 172.637 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.323 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.24 -31.47 56.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.64 1.56 . . . . 0.0 111.184 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.76 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.38 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.97 96.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' W' ' 30' ' ' VAL . . . -64.28 -45.38 88.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.98 -50.86 71.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.19 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.21 -41.23 98.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.55 -33.23 70.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.181 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.5 97.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -44.06 97.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.229 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.48 81.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.37 -45.27 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.257 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.7 -48.06 82.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.56 60.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.173 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.3 -43.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.52 83.4 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.04 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.276 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.12 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.88 -45.0 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.89 77.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.45 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.72 -43.46 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.41 -43.92 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.241 174.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.3 -51.72 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.04 8.53 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.03 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -59.97 -54.15 49.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.221 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.65 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.08 75.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.48 -41.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.57 76.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.97 82.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 53.2 t80 -65.06 -36.91 85.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.97 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.1 72.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 72.6 p -64.81 -29.65 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 172.642 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.19 -31.56 55.96 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.687 1.591 . . . . 0.0 111.234 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.82 81.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.44 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.01 96.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.233 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.41 88.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -50.84 72.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.38 -38.14 85.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.25 -41.3 98.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.46 -33.24 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.18 -41.44 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.04 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.48 -45.3 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.58 -48.14 81.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.69 -25.55 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.35 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.57 82.47 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.05 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.24 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.17 89.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.86 -45.08 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.96 77.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.57 -49.53 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.242 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.04 -28.71 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 t -64.71 -43.52 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 172.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.37 -43.96 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.27 -51.76 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.99 -42.38 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.03 8.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.05 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -60.04 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.51 -32.69 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -48.05 75.77 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -41.09 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.69 -43.52 76.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -36.03 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 52.9 t80 -64.96 -36.97 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.0 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.04 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 172.712 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.2 -31.48 55.63 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.653 1.569 . . . . 0.0 111.192 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.72 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.53 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.04 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' Y' ' 30' ' ' VAL . . . -64.26 -45.31 88.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.9 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.33 -38.19 86.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -62.28 -41.2 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.5 -33.33 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.08 -41.51 97.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.47 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.5 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.24 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.16 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.56 -25.7 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.24 -43.84 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.266 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.46 82.98 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.63 -43.08 94.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.09 89.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.82 -45.1 75.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.63 -43.97 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.27 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.62 -49.52 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.97 -28.76 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.229 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.67 -43.53 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.41 -43.91 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.76 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.19 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.13 -42.24 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.224 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.55 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.01 74.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -60.03 -54.07 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.229 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.56 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.174 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.57 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.99 82.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 53.3 t80 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 173.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.95 82.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 3.7 t80 -56.52 -50.07 72.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.8 -29.71 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 172.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.58 55.9 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.657 1.571 . . . . 0.0 111.165 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.39 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' Z' ' 30' ' ' VAL . . . -64.29 -45.34 88.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.11 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.14 98.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.257 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.17 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.47 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.221 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.99 -44.14 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.26 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.63 -48.08 82.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.57 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.39 -43.82 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 168.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.64 82.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.55 -43.08 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.261 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.83 -45.12 75.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.95 77.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.61 -49.53 62.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.96 -28.68 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.73 -43.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.0 -42.39 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.12 8.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.2 73.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.93 -54.08 50.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.55 -32.64 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.08 75.69 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.5 -41.22 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.21 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.58 -43.62 76.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -36.02 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 52.9 t80 -64.91 -36.99 86.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -35.93 82.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 3.6 t80 -56.56 -49.99 73.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 172.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.86 -29.74 70.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 172.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.761 0.315 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.23 -31.59 56.49 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.72 1.613 . . . . 0.0 111.175 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.8 81.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.4 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.05 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 30' ' ' VAL . . . -64.22 -45.33 88.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.07 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.14 85.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.28 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.14 -41.47 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.48 -45.23 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.52 60.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.37 -43.88 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.65 -41.52 82.47 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.7 -43.04 94.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.17 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -67.74 -45.13 75.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.89 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.57 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.81 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.5 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.02 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 67.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.41 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -56.99 8.65 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.16 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.165 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -59.97 -54.06 50.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.48 -32.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.03 75.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.63 -41.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.59 -43.61 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -36.03 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 53.2 t80 -64.89 -37.04 86.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.92 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.1 77.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 3.7 t80 -56.45 -50.12 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 172.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -64.78 -29.67 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 172.737 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.816 0.341 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.15 -31.6 55.76 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.812 1.674 . . . . 0.0 111.149 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.74 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 79.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.27 -45.3 88.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.13 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.14 85.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.27 -41.21 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.5 -33.29 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.49 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 -48.57 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.27 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.53 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.8 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 168.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.54 82.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.68 -43.02 94.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.192 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 26' ' ' TRP . . . . . 0.402 ' O ' HG23 ' S' ' 30' ' ' VAL . 23.7 m95 -67.84 -45.07 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.94 77.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.51 62.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.256 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.87 -28.83 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.225 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 30' ' ' VAL . . . . . 0.402 HG23 ' O ' ' S' ' 26' ' ' TRP . 22.1 t -64.7 -43.5 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.32 -44.03 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.77 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.265 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.06 -42.34 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.02 8.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.03 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.219 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.99 -54.16 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.75 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.12 75.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.14 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 111.214 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.62 -43.64 76.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.21 -36.08 83.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 53.2 t80 -65.04 -36.9 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.87 -35.89 82.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 3.6 t80 -56.57 -49.97 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 73.6 p -64.91 -29.69 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 172.661 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.796 0.331 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.14 -31.63 55.69 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.702 1.601 . . . . 0.0 111.147 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.13 -42.45 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.26 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.81 72.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.48 -38.03 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.22 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.48 -33.29 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.33 90.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.07 -44.12 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.47 81.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.82 -25.55 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.4 -43.81 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 168.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.55 82.83 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.244 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.22 89.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.82 -45.04 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.95 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.66 -49.46 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.74 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 30' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' K' ' 10' ' ' ALA . 22.6 t -64.72 -43.54 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 172.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.34 -44.02 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.14 -51.91 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.96 -42.3 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.07 8.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.97 73.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.1 -54.01 51.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.6 -32.58 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.03 76.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.14 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.227 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.73 -43.52 76.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.93 82.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.266 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 53.3 t80 -65.08 -36.99 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.74 -35.94 82.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.252 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.94 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 3.6 t80 -56.46 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -64.85 -29.76 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 172.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.741 0.305 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.16 -31.56 55.6 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.667 1.578 . . . . 0.0 111.219 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.72 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.22 -42.47 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.08 96.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.23 -45.34 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.98 -50.83 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.41 -38.12 85.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.33 -41.16 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.64 -33.16 70.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.05 -44.1 97.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.205 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.22 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.1 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.7 -25.59 60.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.3 -43.9 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.255 168.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.62 -41.56 82.33 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.11 94.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.224 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.2 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.0 76.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -43.84 77.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.69 -49.48 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.94 -28.77 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.175 -173.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' L' ' 10' ' ' ALA . 22.4 t -64.76 -43.5 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.94 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 -51.79 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.03 -42.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.02 8.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.48 -44.97 73.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 95.4 m -60.09 -54.03 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.61 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.96 77.0 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.253 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.53 76.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.94 82.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 42' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 53.4 t80 -65.0 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.03 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 45' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 3.7 t80 -56.47 -50.09 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.196 172.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -64.81 -29.68 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 172.685 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.746 0.307 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.09 -31.61 55.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.657 1.571 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 10' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.27 -45.33 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.192 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -58.1 -50.76 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.25 86.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.48 -33.27 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.53 97.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.34 90.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.28 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.08 -44.14 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.48 -45.26 76.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.14 81.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.66 -25.57 60.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.245 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.34 -43.82 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.45 83.05 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.67 -43.04 94.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.23 89.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.71 -45.18 75.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.99 77.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.59 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.7 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.52 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.46 -43.94 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.23 -51.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.2 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.03 8.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.11 73.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.227 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -60.02 -54.03 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.68 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.83 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.19 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.221 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.57 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.2 -36.0 82.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 52.9 t80 -65.04 -36.93 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 173.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.0 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 3.7 t80 -56.53 -49.96 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.277 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -64.83 -29.7 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 172.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.21 -31.54 56.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.763 1.642 . . . . 0.0 111.221 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.76 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.189 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.92 96.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.27 -45.3 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.06 -50.9 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.31 -38.2 86.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.11 98.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.63 -33.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.55 97.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.95 -44.19 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.26 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.17 81.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.5 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.43 -43.8 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.56 82.47 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.17 89.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.87 -45.04 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.98 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.52 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' N' ' 10' ' ' ALA . 22.6 t -64.71 -43.46 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.43 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.98 -42.41 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -57.01 8.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.08 73.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.105 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.06 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.254 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.56 -32.64 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.04 76.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.57 -43.53 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.01 82.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 53.4 t80 -64.97 -36.92 85.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 173.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 3.7 t80 -56.46 -50.1 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -64.81 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.207 172.706 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.808 0.337 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.19 -31.54 55.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.685 1.59 . . . . 0.0 111.2 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.43 79.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.33 -45.33 88.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.15 85.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.31 -41.18 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.47 -33.34 71.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.05 -41.6 97.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.34 90.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.03 -44.13 97.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.55 -45.19 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.68 -48.09 82.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.46 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -173.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.42 -43.79 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.242 168.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.59 83.1 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.1 94.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.18 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.1 89.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.85 -45.06 75.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.01 76.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.58 -49.54 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.72 -43.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.43 -43.98 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.03 -42.3 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.4 -57.06 8.57 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.05 -54.1 50.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.04 76.27 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.73 -43.49 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.35 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 53.3 t80 -65.03 -36.92 85.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -36.05 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.82 -34.16 77.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.98 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 172.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -64.83 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 172.747 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.17 -31.65 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.789 1.659 . . . . 0.0 111.144 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.78 81.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.3 79.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.97 97.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.33 -45.25 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.173 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.13 -50.86 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.09 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -41.18 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.5 -33.27 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.06 -41.62 97.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.53 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.22 175.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -44.18 97.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.49 81.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.25 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.06 82.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.78 -25.5 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.38 -43.84 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 168.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.64 82.67 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.52 -43.13 95.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.09 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.9 -45.08 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.89 77.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.59 -49.58 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 30' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' P' ' 10' ' ' ALA . 22.5 t -64.67 -43.5 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.39 -44.03 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.2 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.02 -42.41 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.06 8.49 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.32 -45.06 73.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.201 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -54.06 50.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.6 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.29 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.18 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.64 76.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.16 -36.03 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 52.9 t80 -64.94 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.9 -35.82 82.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.219 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -34.01 76.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 3.7 t80 -56.49 -50.03 72.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 75.1 p -64.89 -29.75 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.229 172.682 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.27 -31.5 56.47 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.642 1.561 . . . . 0.0 111.19 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.44 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.94 96.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.8 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.1 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.17 98.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.264 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.53 -33.31 71.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.04 -41.58 97.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.38 90.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.01 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.205 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.17 77.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.213 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.72 -25.64 60.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.69 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 168.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.53 83.32 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.301 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.12 89.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.79 -45.18 75.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.6 -49.52 62.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.8 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' Q' ' 10' ' ' ALA . 22.5 t -64.73 -43.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.0 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.24 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.28 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.95 8.75 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -44.98 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.211 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 97.5 m -59.98 -54.04 50.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.63 -32.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.11 75.55 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.54 -41.13 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.56 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.97 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 53.3 t80 -64.98 -36.94 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 173.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.01 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 3.7 t80 -56.52 -49.99 73.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 172.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.879 0.371 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.23 -31.45 55.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.683 1.588 . . . . 0.0 111.238 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.75 82.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.38 79.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.95 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.239 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.11 -50.76 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.35 -38.26 86.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.19 -41.23 98.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.47 -33.28 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.03 -41.57 97.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.254 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.49 90.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.16 97.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.269 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.23 77.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.5 60.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.83 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.6 82.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.06 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.223 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.73 -45.15 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.56 -49.64 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.85 -28.69 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.284 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.77 -43.58 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.38 -43.91 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.81 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.05 -42.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.08 8.52 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.02 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.22 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -59.97 -54.1 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.248 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.54 -32.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.91 -48.11 74.95 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.55 -41.16 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.237 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.57 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.26 -35.93 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.24 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.15 -36.79 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.88 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.88 -34.12 77.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.46 -50.01 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.83 -29.79 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.23 -31.54 56.22 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.636 1.557 . . . . 0.0 111.218 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.36 88.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 85.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.2 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.18 98.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.15 -41.51 97.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.94 -44.21 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.55 -45.18 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.15 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.5 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.38 -43.83 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 168.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.45 82.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.71 -42.94 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.182 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.08 89.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.165 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.92 -45.12 75.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.48 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.94 -28.8 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.67 -43.43 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.21 -51.81 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.01 -42.29 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.08 8.49 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -53.98 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.09 75.55 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.55 -41.16 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 111.239 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.09 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.04 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.22 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.53 -49.92 73.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -64.93 -29.72 70.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.181 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 172.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.788 0.327 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.22 -31.48 55.82 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.677 1.585 . . . . 0.0 111.237 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.47 80.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.227 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.26 88.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.194 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.81 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.38 -38.1 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.249 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.14 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.6 -33.28 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.54 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.44 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.0 -44.07 97.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.3 76.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.147 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.59 -48.1 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.58 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.38 -43.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 168.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.59 83.25 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.05 95.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.755 0.312 . . . . 0.0 111.229 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.16 89.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.05 75.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.248 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.254 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.54 62.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.92 -28.81 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -173.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.68 -43.51 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.4 -43.91 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.02 8.59 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.98 73.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.11 -54.03 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.63 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.99 76.77 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.49 -41.28 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.54 -43.57 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.34 -35.94 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -64.96 -37.0 86.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.9 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.232 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 172.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.81 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.244 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 172.706 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.25 -31.57 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.74 1.626 . . . . 0.0 111.194 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.74 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.257 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.4 79.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.32 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.12 -50.78 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.34 -41.15 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.57 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.238 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.34 90.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.46 -45.31 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.13 82.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.68 -25.53 60.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.44 -43.73 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.5 83.42 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.61 -43.02 95.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 111.22 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.13 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.264 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.78 -45.16 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.96 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.46 62.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.86 -28.86 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.69 -43.49 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.34 -43.98 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.23 -51.71 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.15 -42.29 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.54 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.07 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -54.03 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -74.55 -32.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -48.0 76.93 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.58 -41.1 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.51 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -36.01 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -64.98 -37.0 86.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.72 -35.98 82.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.42 -50.05 72.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.88 -29.72 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.846 0.355 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.13 -31.49 55.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.681 1.587 . . . . 0.0 111.233 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.79 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.4 80.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.98 96.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.34 88.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.05 -50.82 72.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.2 86.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.21 -41.21 98.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.52 -33.26 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.06 -44.0 97.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 96.0 m -55.56 -45.27 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.57 -48.04 82.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.285 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.62 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.32 -43.85 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 168.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.7 -41.47 82.7 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.06 94.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 111.198 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.245 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.81 -45.1 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.93 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.52 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.8 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.68 -43.49 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 172.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.44 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.0 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.12 8.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.0 74.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.327 . . . . 0.0 111.29 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.02 -54.08 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.64 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.0 77.07 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.61 -41.09 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.192 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.59 -43.6 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -35.92 82.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.07 -36.94 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.81 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.07 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.51 -50.08 72.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 75.2 p -64.87 -29.65 70.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 172.665 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.842 0.353 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.15 -31.61 55.75 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.744 1.629 . . . . 0.0 111.144 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.29 -42.34 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.202 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.06 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.41 88.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.78 72.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.21 86.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.11 98.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.59 -33.25 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.12 -41.52 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.45 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.248 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.48 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -55.39 -45.25 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.289 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.01 82.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.198 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.34 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.52 83.26 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 171.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.22 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.75 -45.15 75.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.95 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.47 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.0 -28.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 -173.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.7 -43.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.201 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.44 -43.9 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.29 -51.81 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.96 -42.29 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.269 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.44 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.03 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.175 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -54.01 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.69 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.05 76.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.15 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.171 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.7 -43.54 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.05 82.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.9 -36.98 86.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.91 -35.89 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.03 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.263 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.56 -49.96 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -29.7 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 172.739 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.825 0.345 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.1 -31.62 55.21 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.706 1.604 . . . . 0.0 111.242 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.65 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.44 79.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.25 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.14 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.15 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.47 -33.36 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.99 -41.57 97.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.37 90.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.21 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.05 -44.06 97.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.6 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.47 -45.21 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.63 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.31 -43.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.07 94.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.22 89.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.8 -45.07 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.83 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.67 -49.56 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.62 -43.48 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.277 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.4 -43.94 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.27 -51.77 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.97 -42.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.236 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.45 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.09 73.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.71 0.291 . . . . 0.0 111.113 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.02 -54.02 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.256 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.52 -32.66 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.238 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.02 76.52 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.55 -41.14 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.233 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.59 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.22 -36.04 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.238 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.75 -35.9 82.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.98 76.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.51 -50.06 72.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 73.1 p -64.75 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 172.745 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.857 0.36 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -31.55 56.45 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.657 1.571 . . . . 0.0 111.227 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.81 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.29 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.3 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.12 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.17 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.52 -33.27 70.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.12 -41.49 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.227 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.38 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.04 -44.11 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.48 81.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -55.57 -45.21 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.5 60.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.39 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.63 82.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.54 -43.07 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.9 -45.02 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.67 -49.55 62.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.74 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -173.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.76 -43.45 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.24 -51.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.42 94.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.05 -54.08 50.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.5 -32.66 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.14 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 111.22 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.53 -43.68 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.23 -35.99 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.99 -36.99 86.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.85 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.05 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.45 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 73.3 p -64.92 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 172.702 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.21 -31.56 56.13 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.707 1.604 . . . . 0.0 111.206 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.7 81.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.38 79.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.96 96.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.43 88.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.02 -50.84 72.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -41.11 98.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.49 -33.39 71.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.51 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.42 90.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.98 -44.18 97.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.46 81.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.47 -45.24 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.76 -25.46 60.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -173.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.48 -43.73 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.54 83.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 111.138 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.22 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.73 -45.18 75.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.229 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.224 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.69 -49.45 62.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.98 -28.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.67 -43.58 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -43.9 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.33 -51.74 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.41 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.14 8.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.11 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.167 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -54.01 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.72 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.97 76.87 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.59 -41.15 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.157 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.6 -43.62 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.28 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.08 -36.91 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.92 -35.81 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.02 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.237 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.54 -50.03 73.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.9 -29.66 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 172.71 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.822 0.344 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.86 -28.88 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.69 1.593 . . . . 0.0 111.208 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.48 79.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.23 -36.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.94 99.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 174.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.13 98.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.27 -41.05 96.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.5 -42.56 92.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -42.02 96.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.29 -47.35 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.52 92.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -35.74 79.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -58.54 -43.15 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.84 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.4 -37.78 87.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.56 -42.97 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.88 94.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.8 -39.32 90.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.56 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.211 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.14 -40.13 84.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.82 72.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.64 28.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.7 -26.24 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.09 -48.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.49 -41.85 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.61 -39.4 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -52.44 26.52 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.61 93.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.81 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.187 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -45.51 87.29 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.32 -39.54 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.73 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.5 -39.04 82.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.43 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.22 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.54 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 167.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -54.76 -41.87 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.663 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.766 0.317 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.86 -28.92 50.47 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.699 1.599 . . . . 0.0 111.187 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.49 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 173.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.7 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.08 99.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.27 98.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.16 -41.1 96.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.5 -42.56 91.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.28 -41.61 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.43 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.57 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.92 -35.7 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.216 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.58 -43.15 89.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.89 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.4 -37.85 87.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.51 -42.98 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.04 -43.74 94.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.6 68.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.02 -40.16 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.91 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.64 27.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.96 -48.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.67 -26.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -172.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.23 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.51 -41.81 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.291 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.66 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.46 26.21 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.51 92.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 111.164 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.34 -55.89 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.27 -41.08 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.264 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.52 86.99 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.35 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.32 -41.73 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.99 -36.57 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.52 -39.08 82.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.62 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.88 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.192 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.222 178.704 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.89 -28.85 50.31 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.738 1.626 . . . . 0.0 111.191 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.5 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.51 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.07 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.06 96.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.47 -42.53 92.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.277 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -42.11 96.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.36 -47.3 84.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.52 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.98 -35.72 78.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.33 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.16 89.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.85 87.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.214 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.47 -43.08 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.86 94.63 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.27 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.195 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.62 68.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.206 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.18 -40.16 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.96 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.11 -43.64 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.72 -26.17 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -172.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.52 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.65 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.98 -52.44 26.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.63 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.03 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.47 87.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.36 -39.49 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.25 -41.82 93.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.85 -36.67 85.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.05 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.2 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.48 -49.71 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.87 -41.79 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.659 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.848 0.356 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.8 -28.86 51.05 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.658 1.572 . . . . 0.0 111.253 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.51 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.58 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.06 99.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.16 98.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.239 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.55 -42.51 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.01 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.62 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.57 91.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.232 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.61 -43.1 89.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.93 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.34 -37.89 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.49 -43.05 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.83 -43.93 94.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.23 90.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.237 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.55 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.14 -40.09 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.28 -43.64 27.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.96 -48.83 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.63 -26.19 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -172.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.26 -48.2 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.91 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.6 -39.36 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.05 -52.41 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.63 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.79 27.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.12 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.57 86.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.28 -39.54 84.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.68 94.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.244 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' D' ' 44' ' ' LYS . 90.2 mt -65.09 -36.47 84.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.51 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' D' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.212 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.69 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.229 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.81 -41.83 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 178.737 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.756 0.313 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.87 -28.84 50.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.685 1.59 . . . . 0.0 111.197 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.49 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.205 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.09 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.34 -40.95 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 75.3 m -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.43 -47.32 84.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.5 92.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.94 -35.68 78.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.3 96.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.6 -43.22 89.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.24 -48.96 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.33 -37.9 87.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.43 -43.08 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.74 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.97 -39.22 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.746 0.308 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.66 68.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.03 -40.19 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.87 -37.9 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.243 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.72 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -172.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.22 -48.08 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.66 -41.81 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.51 25.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -55.32 -55.83 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.18 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.52 86.82 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.25 -39.55 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.72 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' E' ' 44' ' ' LYS . 89.8 mt -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.222 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.99 82.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.55 72.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' E' ' 41' ' ' LEU . 68.5 mttm -64.33 -39.25 93.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 167.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.8 -41.84 71.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.699 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.744 0.307 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.78 -28.94 51.17 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.724 1.616 . . . . 0.0 111.19 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.41 79.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.66 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.08 96.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.233 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.48 -42.54 92.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.269 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.26 -42.04 96.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.69 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.34 84.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.69 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.32 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.61 -43.17 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.86 79.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.47 -43.11 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.89 94.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.29 90.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.6 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.1 -40.12 84.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.92 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.25 -43.62 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.03 -48.74 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.22 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.07 -48.29 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.9 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.58 -39.45 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.46 26.01 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 92.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.743 0.306 . . . . 0.0 111.193 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.35 -55.78 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.14 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.58 86.54 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.28 -39.53 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.97 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.59 -38.95 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.58 -34.45 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.26 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.69 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.259 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.277 178.594 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.87 -28.9 50.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.52 79.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.54 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.26 98.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.2 -41.06 96.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.48 -42.52 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.37 -41.95 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.53 96.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.47 -47.25 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.78 79.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.39 96.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.65 -43.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.43 -48.87 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.84 87.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.84 94.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.9 -39.21 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.59 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.09 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.82 72.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.71 27.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.84 -48.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.73 -26.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.09 -48.26 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.55 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.57 -39.49 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 84.4 m -55.43 -55.77 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.33 -41.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.58 86.48 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.28 -39.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.209 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.65 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' G' ' 44' ' ' LYS . 89.6 mt -65.0 -36.66 85.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 175.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.45 -39.05 82.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 171.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' G' ' 41' ' ' LEU . 68.5 mttm -64.34 -39.23 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.49 -49.71 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.84 -41.82 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.211 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 178.658 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.9 -28.88 50.17 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.201 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.53 79.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 173.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.25 -36.67 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.1 99.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.19 98.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.1 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.46 91.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.3 -42.07 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.61 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.34 84.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.58 91.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.94 -35.71 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.36 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.14 89.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.88 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.42 -37.86 87.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.202 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -43.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.81 94.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.95 -39.22 90.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.64 68.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.78 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.35 -43.56 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.187 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.85 -48.94 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.2 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.2 -48.25 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.51 -41.8 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.64 -39.51 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.53 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.53 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.41 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.11 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.55 86.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.27 -41.77 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.93 -36.63 85.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.56 -34.48 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.42 -39.12 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.21 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.7 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.81 -41.86 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 178.683 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.898 0.38 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.95 -28.87 49.79 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.702 1.601 . . . . 0.0 111.168 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.39 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.39 -36.6 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.07 98.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.02 96.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.52 -42.47 91.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.27 -42.11 96.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.65 96.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.37 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.5 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -68.04 -35.7 78.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.58 -43.12 89.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.79 80.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.41 -37.87 87.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.48 -43.09 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.194 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.92 94.53 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.86 -39.3 90.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.17 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.68 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.09 -40.09 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.32 -43.61 27.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.92 -48.84 86.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.62 -26.25 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -172.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.52 -41.87 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.65 -39.37 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.96 -52.47 26.1 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.52 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 85.9 m -55.34 -55.83 27.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.4 -41.09 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.56 86.74 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.29 -39.56 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.215 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 41' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' I' ' 44' ' ' LYS . 89.9 mt -64.93 -36.56 84.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -38.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.57 -34.51 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD23 ' I' ' 41' ' ' LEU . 68.5 mttm -64.38 -39.17 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.61 -49.63 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.205 167.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.8 -41.85 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 178.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.785 0.326 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.9 -28.86 50.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.671 1.581 . . . . 0.0 111.22 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.28 -36.67 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.266 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.19 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.06 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.5 -42.57 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.31 -47.33 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.62 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.71 78.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.27 96.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.234 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.6 -43.17 89.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.89 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -42.99 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.23 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.78 94.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.9 -39.21 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.251 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.56 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.07 -40.2 84.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.85 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.65 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.73 -26.16 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -172.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.228 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.209 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.74 -39.36 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.53 93.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.5 86.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.32 -39.56 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.79 94.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.88 -36.6 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.59 -39.0 82.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.5 72.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.24 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.291 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.5 -49.72 71.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.253 167.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 87.4 m -54.74 -41.78 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.691 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.891 0.376 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.86 -28.85 50.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.669 1.579 . . . . 0.0 111.206 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.44 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.28 -36.61 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.259 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.03 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.08 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.46 -42.51 92.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.232 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.35 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.52 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.9 -35.66 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.42 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 97.9 m -58.49 -43.18 88.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.41 -37.74 86.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.59 -42.94 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.72 95.0 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.92 -39.36 90.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.194 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.56 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.13 84.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.228 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.01 -37.86 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.69 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.8 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.69 -26.25 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -172.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.09 -48.27 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.54 -41.77 93.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.62 -39.5 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.42 26.13 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.57 93.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.39 -55.81 27.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.228 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.13 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.57 86.49 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.23 -39.56 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.96 -36.53 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.56 -39.03 82.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.45 72.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.35 -39.29 93.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.61 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 167.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.8 -41.92 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 178.67 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.73 -28.98 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.7 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.09 99.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.18 98.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.21 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.57 91.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -41.96 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.32 -41.58 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.42 -47.3 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.49 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.88 -35.73 79.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.258 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.59 -43.18 89.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.75 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.55 -43.08 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.83 94.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.21 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.278 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.09 -40.14 84.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.64 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.243 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.99 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.26 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.16 -48.2 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.58 -41.79 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.65 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.38 26.13 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.57 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.38 -55.85 26.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.29 -41.07 83.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.6 86.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.58 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.166 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.79 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' L' ' 44' ' ' LYS . 89.8 mt -64.91 -36.66 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 42' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.43 -39.09 82.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.262 171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.45 -34.59 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' L' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 176.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.63 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.87 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.194 178.744 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.803 0.335 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -65.86 -28.85 50.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.689 1.593 . . . . 0.0 111.258 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.59 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.186 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.07 99.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.14 96.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.56 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -42.08 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.19 -41.65 96.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.3 84.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.45 92.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.71 78.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.31 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.55 -43.2 89.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.92 79.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.76 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.259 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.61 -43.03 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.81 94.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.4 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.71 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.05 -40.09 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.94 72.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.16 -43.71 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.66 -26.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -172.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.19 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.59 -39.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.1 -52.41 26.95 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.6 93.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.307 . . . . 0.0 111.216 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.34 -55.76 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.59 86.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.63 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 111.192 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.22 -41.81 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' M' ' 44' ' ' LYS . 89.7 mt -65.06 -36.44 84.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.227 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.58 -39.03 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 171.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.63 -34.47 72.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' M' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.26 93.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.207 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.52 -49.64 72.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.82 -41.88 71.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 178.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.785 0.326 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.88 -28.84 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.682 1.588 . . . . 0.0 111.213 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.5 79.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.71 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.12 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.28 98.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.04 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.48 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.66 96.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.36 84.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.54 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.31 -48.89 79.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -62.4 -37.82 87.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.01 -43.72 94.92 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.92 -39.23 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.07 -40.07 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.205 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.81 72.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.21 -43.71 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.03 -48.7 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.69 -26.25 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.53 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.58 -39.45 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.5 25.8 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.58 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.247 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.33 -55.85 26.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -40.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.62 86.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.2 -39.55 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.266 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.4 -41.79 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.0 82.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.53 -34.46 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.43 -39.25 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 167.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.76 -41.83 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 178.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -65.84 -28.97 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.719 1.613 . . . . 0.0 111.144 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 174.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.62 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.22 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.17 -41.11 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.55 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.61 96.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.47 83.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.61 91.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.79 79.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.28 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 96.7 m -58.64 -43.1 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.92 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.44 -37.71 86.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.76 94.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.208 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.68 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.01 -40.16 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.65 27.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.88 -48.87 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.31 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.1 -48.21 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.6 -39.45 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.55 25.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.59 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.88 26.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.24 -41.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.61 86.36 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 111.219 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.02 -36.5 84.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.72 -38.86 82.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 171.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.65 -34.44 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 178.736 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.767 0.317 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.81 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.72 1.614 . . . . 0.0 111.191 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.44 79.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.42 -36.51 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.2 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.22 -41.11 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.49 -42.55 92.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.31 -42.03 96.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.27 -41.51 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.48 -47.31 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.43 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.95 -35.72 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.34 96.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.239 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -58.55 -43.15 89.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.265 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.36 -48.91 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.44 -37.75 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -42.98 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.227 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.85 94.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.85 -39.3 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.257 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.7 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -58.99 -40.25 84.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.212 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.88 71.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.24 -43.67 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.92 -48.86 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.233 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.6 -26.24 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.56 -41.78 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.66 -39.52 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.36 26.34 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.54 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.33 -55.88 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.08 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.245 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.62 86.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.3 -41.81 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.54 -38.99 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.64 -34.42 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.16 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.53 -49.67 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.185 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -54.79 -41.85 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.25 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.29 178.622 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.75 -28.98 51.33 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.706 1.604 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.66 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.28 98.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.03 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.57 91.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.03 96.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.59 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.28 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.5 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.47 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.54 -43.19 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.39 -37.81 87.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.49 -43.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.81 94.69 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.82 -39.32 90.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.224 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.54 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.185 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.26 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.9 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.65 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.04 -48.78 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.57 -26.33 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.225 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.49 -41.9 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.246 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.55 -39.52 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.43 25.81 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.49 92.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.179 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.4 -55.77 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -41.03 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.52 87.03 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.24 -39.61 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.188 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.25 -41.79 93.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' Q' ' 44' ' ' LYS . 89.5 mt -64.97 -36.64 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 175.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.52 -39.06 82.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.47 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' Q' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.27 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.53 -49.64 72.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.89 -41.83 71.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 178.67 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.82 -28.99 50.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.615 . . . . 0.0 111.168 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.49 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.21 -36.69 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.18 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.17 -41.12 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.57 -42.54 91.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.6 96.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.3 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.52 92.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.92 -35.67 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.47 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.59 -43.02 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.25 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.87 79.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.47 -37.79 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.07 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.84 94.72 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.37 90.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -51.65 68.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.04 -40.14 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.91 72.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.15 -43.75 27.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.91 -48.78 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.66 -26.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -172.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.1 -48.19 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.61 -41.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.63 -39.49 83.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.42 26.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.6 93.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.28 -55.88 26.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.07 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.45 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.28 -39.57 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 111.155 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.77 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' R' ' 44' ' ' LYS . 89.8 mt -65.01 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.06 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.44 72.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' R' ' 41' ' ' LEU . 68.5 mttm -64.42 -39.26 93.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' R' R ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.56 -49.65 72.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 167.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.79 -41.87 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.694 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.765 0.317 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -65.78 -28.88 51.18 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.726 1.617 . . . . 0.0 111.248 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.52 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.64 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.01 99.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.225 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.24 -41.09 96.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.56 -42.45 91.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.26 -42.1 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.39 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.62 91.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.96 -35.69 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.6 -43.09 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.39 -37.9 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.05 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.29 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.169 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.63 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.17 84.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.88 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.66 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.97 -48.79 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.68 -26.22 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.25 -48.18 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.58 -39.46 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.217 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.53 25.64 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.51 93.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.257 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.38 -55.9 26.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.32 -41.15 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.61 86.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.25 -39.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.219 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.1 -36.43 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 42' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.45 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.29 93.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.64 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.78 -41.83 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 178.731 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.754 0.311 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.87 -28.91 50.41 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.688 1.592 . . . . 0.0 111.201 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.46 79.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.05 96.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.52 -42.5 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.31 -41.97 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.58 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.237 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.43 96.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -43.16 88.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 174.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.47 -48.77 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.46 -37.75 87.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.08 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.234 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.8 94.78 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.65 68.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -58.99 -40.21 84.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.216 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.77 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.23 -43.67 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.98 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.61 -26.28 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.17 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.57 -39.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.196 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.44 25.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.62 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.26 -55.9 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.1 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.56 86.38 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.34 -39.53 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.81 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.49 -39.07 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.59 -49.67 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.74 -41.88 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 178.718 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.85 -28.93 50.61 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.741 1.627 . . . . 0.0 111.174 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.51 79.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.219 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.7 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.21 99.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.26 98.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.62 92.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.229 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.17 -42.1 96.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.25 -41.58 96.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.43 -47.34 84.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.52 92.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.93 -35.67 78.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.45 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.51 -43.12 89.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -62.32 -37.85 87.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.82 94.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.86 -39.31 90.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.57 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.83 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.24 -43.68 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.67 -26.19 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.24 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.57 -41.75 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.66 -39.47 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.45 26.1 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.69 93.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.12 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.62 86.46 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.24 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.77 94.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' U' ' 44' ' ' LYS . 89.3 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -39.04 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.188 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.48 -34.58 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' U' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.25 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.43 -49.69 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.267 167.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.82 -41.81 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 178.644 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.734 0.302 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.84 -28.88 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.704 1.603 . . . . 0.0 111.198 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.5 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 173.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.63 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.1 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.13 98.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.07 96.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.48 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.58 97.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.278 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.45 -47.31 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.48 92.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.97 -35.68 78.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.33 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.67 -43.14 89.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.8 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.95 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -176.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.45 -43.12 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.85 94.72 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.86 -39.27 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.6 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.04 -40.19 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.87 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.63 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.83 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.71 -26.28 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -172.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.21 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.59 -41.84 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.6 -39.47 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.84 -52.48 25.52 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.52 92.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -55.44 -55.75 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.07 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -45.57 86.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.182 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.79 93.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' V' ' 44' ' ' LYS . 89.7 mt -64.95 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' V' V ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.57 -38.99 82.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.61 -34.47 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' V' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.28 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' V' V ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.58 -49.58 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 167.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.86 -41.79 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.242 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 178.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.93 49.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.7 1.6 . . . . 0.0 111.18 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.36 -36.55 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.04 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.226 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.21 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.13 -41.16 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.52 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.29 -41.56 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.36 83.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.51 92.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.72 78.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 96.8 m -58.6 -43.15 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.77 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.55 -43.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.75 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.8 -39.3 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.22 -40.09 84.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.81 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.23 -43.68 27.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.256 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.9 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.286 -173.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.22 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.249 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.2 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.38 26.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 85.2 m -55.25 -55.92 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.03 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -45.68 86.03 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.34 -41.74 94.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.01 -36.55 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.61 -38.97 82.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 171.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.42 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.21 93.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.54 -49.66 72.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 167.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.76 -41.88 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 178.662 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.9 -28.89 50.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.714 1.609 . . . . 0.0 111.167 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.53 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.26 -36.68 69.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.266 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.15 98.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.11 96.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.04 96.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.28 -41.58 96.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.39 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.51 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.96 -35.76 78.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.31 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.53 -43.18 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.218 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.82 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.55 -37.76 87.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.51 -43.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.83 94.75 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.59 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.13 -40.16 84.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.81 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.77 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.85 -48.88 85.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -173.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.249 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.16 -48.16 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.256 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.84 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.67 -39.43 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.45 25.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.61 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.33 -55.83 27.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.12 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.58 86.79 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.53 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.199 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.74 94.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.04 -36.5 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.56 -39.04 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 171.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.39 -39.18 93.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.62 -49.66 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 167.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 178.697 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.93 -28.78 50.02 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.666 1.577 . . . . 0.0 111.16 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.48 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.64 68.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.2 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.14 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.28 -40.99 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.62 -42.46 91.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.6 96.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.32 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.5 92.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.226 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.89 -35.73 79.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.38 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.61 -43.16 89.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.46 -37.81 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.51 -43.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.86 94.69 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.85 -39.35 90.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 111.2 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.61 68.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.13 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.222 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.84 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.64 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.97 -48.81 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.25 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.13 -48.21 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.8 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.61 -39.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.52 92.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 83.7 m -55.41 -55.83 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -45.59 86.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.26 -39.57 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.189 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.02 -36.5 84.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.55 -39.1 82.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.54 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.36 -39.26 93.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.65 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 167.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.85 -41.77 71.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.273 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 178.617 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.807 0.337 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.92 -28.87 50.07 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.193 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.58 79.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.64 69.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.1 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 174.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.31 -41.03 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.45 91.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.08 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.32 84.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.58 91.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.86 -35.82 79.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.32 96.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.56 -43.21 89.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.35 -37.88 87.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.21 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.87 94.77 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.89 -39.32 90.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.184 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.54 69.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.296 175.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -59.14 -40.14 84.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.218 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.22 -43.66 27.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.94 -48.81 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.66 -26.27 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.21 -172.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.05 -48.31 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.51 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.7 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.55 25.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.64 93.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 84.6 m -55.45 -55.71 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.196 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.47 -41.09 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.54 86.48 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.31 -39.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.24 -41.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 41' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' Z' ' 44' ' ' LYS . 89.6 mt -64.98 -36.53 84.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.25 175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Z' Z ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.46 -39.09 82.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.54 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 44' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' Z' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Z' Z ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.62 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 167.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.91 -41.75 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.662 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.84 -28.92 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.707 1.604 . . . . 0.0 111.177 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.45 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.68 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.232 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.0 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.29 -42.09 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.18 -41.63 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.235 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.29 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.43 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.99 -35.66 78.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.57 -43.2 89.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.86 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.4 -37.78 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.49 -43.09 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.84 94.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.23 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 111.27 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.66 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.05 -40.17 84.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.85 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.18 -43.66 27.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.96 -48.87 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -173.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 28.8 m -70.65 -26.21 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.2 -48.13 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.61 -41.84 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.57 -39.58 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.44 25.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.56 92.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.35 -55.77 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.39 -41.09 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.55 86.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.35 -41.67 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.281 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.55 -38.98 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.222 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.67 -34.47 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.36 93.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.67 71.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 167.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.77 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.85 -28.87 50.65 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.746 1.631 . . . . 0.0 111.161 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.49 79.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.55 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.02 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.16 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.58 -42.4 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.38 -42.03 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.3 -41.53 96.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 96.4 m -58.59 -43.07 89.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.5 -37.71 87.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.51 -43.07 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.89 94.6 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.87 -39.26 90.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.63 68.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.06 -40.1 84.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.64 27.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 -26.2 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.22 -48.19 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.65 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.47 25.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 93.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 86.1 m -55.33 -55.76 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.06 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -45.56 86.99 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 85.3 mt -66.23 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 111.239 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.2 -41.9 93.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.88 -36.63 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.187 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.02 82.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.44 72.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.193 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.58 -49.66 72.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.79 -41.87 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 178.765 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.77 0.319 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.86 -28.81 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.709 1.606 . . . . 0.0 111.198 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.48 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.61 68.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.225 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.31 -41.04 96.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.09 96.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.63 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.31 -47.38 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.53 91.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.67 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.36 96.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.57 -43.17 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.8 80.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.81 87.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.47 -43.15 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.75 94.78 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.91 -39.32 90.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.01 -40.22 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.83 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.26 -43.68 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.98 -48.75 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.63 -26.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -172.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.47 -41.95 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -39.4 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.48 26.11 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 111.219 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.28 -55.86 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.35 -41.08 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.6 86.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.8 94.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.62 -39.02 82.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.47 -34.54 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.31 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.5 -49.69 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 167.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.79 -41.89 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.332 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.84 -28.84 50.71 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.663 1.575 . . . . 0.0 111.278 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.53 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.66 68.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.47 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.08 96.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.23 -41.62 96.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.35 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.52 92.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.9 -35.74 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.55 -43.19 89.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -62.43 -37.8 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.53 -43.02 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.8 94.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.21 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.59 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.03 -40.16 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.81 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.22 -43.68 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.94 -48.88 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.6 -26.23 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.1 -48.21 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.64 -41.82 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.61 -39.41 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.44 26.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.55 92.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.774 0.321 . . . . 0.0 111.172 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 84.0 m -55.36 -55.84 26.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.06 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.67 86.0 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.57 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 111.244 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.72 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.96 -36.54 84.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.89 82.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 171.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.66 -34.39 71.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.61 -49.64 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 167.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.88 -28.95 50.33 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.724 1.616 . . . . 0.0 111.165 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.45 80.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.61 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.208 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.12 96.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.04 96.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.32 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.6 91.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.81 -35.78 79.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.39 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.52 -43.2 89.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.28 -48.92 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.45 -37.77 87.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 -176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.49 -43.02 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.99 -43.88 94.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.76 -39.33 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.66 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.02 -40.12 84.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.89 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.08 -43.67 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.93 -48.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.14 -48.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.51 -41.85 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.64 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.4 26.38 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.53 92.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.182 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.35 -55.85 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.13 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.62 86.28 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.27 -39.56 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 111.18 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.33 -41.71 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.99 -36.61 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -39.09 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.47 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.52 -49.67 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.209 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.83 -41.91 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 178.665 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.848 0.356 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.93 -28.79 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.716 1.611 . . . . 0.0 111.159 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.46 79.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -72.29 -36.67 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.98 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.197 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.06 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.256 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -42.09 96.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.62 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.38 -47.24 84.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.59 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 84.5 p -67.89 -35.72 78.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.47 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.57 -43.2 89.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.81 80.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.87 87.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.41 -43.14 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.87 94.58 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.88 -39.27 90.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.2 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.59 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.12 -40.17 84.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.65 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.94 -48.87 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.29 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.16 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.62 -41.75 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.66 -39.46 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.44 26.16 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.53 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 86.3 m -55.36 -55.84 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.1 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.63 86.33 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.25 -39.56 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.79 94.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.07 82.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.25 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.22 93.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.56 -49.76 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.72 -41.84 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.249 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.657 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 CA--C 1.523 -0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.96 -28.73 49.8 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.695 1.597 . . . . 0.0 111.191 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.43 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.68 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.03 96.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.55 -42.6 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.2 -42.1 96.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.24 -41.64 96.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.26 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.257 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.48 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.165 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.43 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.49 -43.19 88.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.41 -48.76 80.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.53 -37.73 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.58 -43.04 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.81 94.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.233 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.02 -40.16 84.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.83 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.74 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.86 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.65 -26.23 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -172.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.55 -41.79 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.78 -39.31 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.59 25.46 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.63 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.21 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -55.24 -55.83 26.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.08 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.228 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -39.52 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 111.184 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.39 -41.72 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.53 -39.06 82.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.47 72.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.08 93.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.6 -49.66 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.79 -41.9 71.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 178.65 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.9 -28.8 50.28 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.677 1.584 . . . . 0.0 111.221 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.43 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.53 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.11 99.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.11 98.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.28 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.49 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.225 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.35 -41.99 96.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.34 -41.57 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.44 -47.21 84.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.237 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.49 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.97 -35.7 78.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.41 96.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.68 -43.05 89.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.44 -48.79 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.265 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.43 -37.8 87.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.52 -43.04 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.89 94.58 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.34 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.63 68.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -58.96 -40.25 84.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.75 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.88 -48.83 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.28 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.65 -41.78 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.62 -39.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.81 -52.54 25.18 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.53 93.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.37 -55.76 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.215 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.51 86.96 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.34 -39.49 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.36 -41.74 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.92 -36.62 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.49 -39.02 82.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 171.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.56 72.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.25 93.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.48 -49.73 71.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 167.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 178.678 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.87 -28.84 50.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.236 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.26 -36.59 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.2 98.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.23 -41.13 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.43 -42.58 92.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.2 -42.09 96.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.63 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.37 -47.29 84.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.55 91.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.41 96.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.57 -43.09 89.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.85 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.48 -37.76 87.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -176.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.48 -43.09 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.84 94.71 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.85 -39.29 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.65 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.274 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.82 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.19 -43.7 27.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.97 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -26.41 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.13 -48.23 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.62 -41.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.6 -39.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.46 25.87 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.57 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.3 -55.82 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.24 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.14 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.46 87.13 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.33 -39.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.193 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.75 94.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.173 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.61 -39.02 82.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.53 72.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.33 93.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.46 -49.71 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 167.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.82 -41.82 71.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 178.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.88 52.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.716 1.611 . . . . 0.0 111.17 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.16 87.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.19 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.86 91.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.95 93.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.56 97.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.53 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -61.89 -41.46 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -73.99 -31.15 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.39 -44.87 95.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.51 92.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.8 95.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.24 71.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.98 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.22 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.25 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.1 89.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.84 -35.08 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 111.171 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.22 -40.04 96.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.248 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.47 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.6 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.421 HG21 HD12 ' F' ' 39' ' ' ILE . 53.3 t -64.87 -44.43 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -173.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.94 -45.35 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.24 -48.04 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.224 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.89 -47.99 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.237 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA2' HD21 ' R' ' 14' ' ' LEU . . . -51.61 -48.68 49.02 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.09 75.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.35 65.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.61 -35.76 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.25 87.95 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' E' ' 29' ' ' VAL . 38.2 mm -66.99 -41.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.46 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 44.9 t80 -62.88 -39.13 93.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.41 79.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.24 -37.22 86.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 171.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.222 175.05 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.806 0.336 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.19 -32.92 52.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.747 1.631 . . . . 0.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.1 -42.09 93.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.8 91.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.95 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.53 97.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.89 -36.62 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.34 97.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.466 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.94 -31.35 63.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.13 -44.96 94.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.83 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.71 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.243 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.24 71.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.43 -47.97 79.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.23 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.65 -42.33 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.12 89.66 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.87 -35.03 76.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.04 95.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.24 -40.07 96.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.38 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.97 -50.64 67.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' G' ' 39' ' ' ILE . 53.2 t -64.73 -44.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.06 -45.32 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.245 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.26 -48.01 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -48.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' S' ' 14' ' ' LEU . . . -51.64 -48.63 49.35 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.07 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.219 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.83 -52.44 65.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.14 88.67 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' W' ' 29' ' ' VAL . 38.4 mm -67.0 -41.39 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.4 97.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.59 84.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 44.7 t80 -62.73 -39.3 93.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 175.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.07 -35.36 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.206 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.15 86.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.39 75.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 171.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.36 -32.0 73.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.227 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 175.128 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.781 0.324 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.26 -32.92 52.88 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.716 1.611 . . . . 0.0 111.212 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.272 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.14 -42.16 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.86 91.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.9 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.58 97.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.45 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.03 -41.41 98.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.492 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -73.99 -31.29 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.81 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.85 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.28 -48.25 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.247 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.02 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.22 79.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.67 -42.27 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 173.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.07 90.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.75 -35.2 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.55 72.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.0 -50.63 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' H' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.211 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.96 -45.33 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.25 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.3 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.8 -48.09 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.227 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.59 -39.42 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.268 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' O' ' 14' ' ' LEU . . . -51.68 -48.62 49.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.2 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.206 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.83 -52.44 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.55 -35.76 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.14 88.19 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' G' ' 29' ' ' VAL . 38.5 mm -67.04 -41.34 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.75 -41.37 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.6 84.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 44.8 t80 -62.76 -39.18 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.11 -35.33 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.21 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 23.6 t80 -55.24 -47.42 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 171.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.41 -31.96 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.251 175.049 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.29 -32.85 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.68 1.586 . . . . 0.0 111.207 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.24 87.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.26 94.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.91 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.293 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.51 97.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.51 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.84 -41.48 97.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.49 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.7 mt -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.22 -44.92 94.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.248 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.49 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.71 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.36 -48.17 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -47.97 79.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.56 -35.24 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.66 -42.34 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.37 -44.09 89.82 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.8 -35.14 76.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.174 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.21 -40.06 96.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.4 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.251 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.62 67.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' I' ' 39' ' ' ILE . 53.4 t -64.79 -44.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -173.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.07 -45.37 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.21 -48.08 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.83 -48.01 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' Y' ' 14' ' ' LEU . . . -51.69 -48.55 49.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.15 74.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.94 -52.27 65.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.16 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.72 -35.67 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.24 88.06 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Y' ' 29' ' ' VAL . 38.3 mm -67.01 -41.29 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 111.237 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.91 -41.31 97.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.54 84.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 44.7 t80 -62.79 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.29 -35.23 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.16 86.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 23.6 t80 -55.3 -47.36 75.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 171.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.48 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 175.027 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.25 -32.84 52.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.724 1.616 . . . . 0.0 111.221 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.07 -42.13 93.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.76 91.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.97 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.53 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.86 -36.61 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . 0.474 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.6 mt -73.94 -31.28 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.52 92.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.67 -46.71 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.81 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.21 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.34 -48.06 79.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.13 79.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.24 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.0 90.23 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.94 -35.02 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.162 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.07 95.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.23 -39.99 96.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.42 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.92 -50.62 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' A' ' 39' ' ' ILE . 53.4 t -64.86 -44.33 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.43 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.17 -48.0 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.87 -48.07 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.62 -39.38 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' V' ' 14' ' ' LEU . . . -51.68 -48.63 49.54 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.07 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.42 65.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -66.52 -35.79 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -43.27 87.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Z' ' 29' ' ' VAL . 38.5 mm -66.89 -41.42 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.77 -41.31 97.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.22 -36.59 84.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 44.8 t80 -62.83 -39.1 93.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.33 79.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.25 86.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 23.6 t80 -55.28 -47.35 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.47 -31.87 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 175.04 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.24 -32.92 52.65 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.262 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.17 87.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.12 -42.12 94.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.85 91.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.04 93.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.6 96.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.236 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.43 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.06 -41.33 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -73.93 -31.3 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.13 -45.02 94.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 172.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.69 -46.72 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.33 -48.31 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.33 -48.03 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.52 -35.24 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.7 -42.26 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.76 -35.06 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 111.252 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.31 -40.05 96.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.42 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.54 68.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' B' ' 39' ' ' ILE . 53.3 t -64.82 -44.49 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.93 -45.36 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.206 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.28 -47.97 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.83 -48.07 88.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.67 -39.4 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' F' ' 14' ' ' LEU . . . -51.65 -48.61 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.21 -46.02 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.34 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.64 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.25 88.02 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 29' ' ' VAL . 38.4 mm -67.0 -41.34 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.32 97.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.19 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 44.6 t80 -62.81 -39.14 93.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.274 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.22 -35.26 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.247 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 23.7 t80 -55.34 -47.34 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 171.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.48 -31.91 73.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 175.094 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.86 52.62 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.705 1.604 . . . . 0.0 111.225 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -47.17 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.14 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.8 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.55 97.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.251 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.59 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.83 -41.47 97.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -73.96 -31.32 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.21 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.2 -44.88 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.49 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.63 -46.82 88.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.8 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.32 -48.24 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.11 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.45 -44.07 90.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -68.82 -35.14 76.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.01 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.247 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.28 -40.01 96.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.47 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.62 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' C' ' 39' ' ' ILE . 53.4 t -64.84 -44.33 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 -173.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.04 -45.38 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.06 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.07 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.57 -39.45 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' GLY . . . . . 0.48 ' HA2' HD21 ' X' ' 14' ' ' LEU . . . -51.66 -48.68 49.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.11 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.81 -52.42 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.24 88.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' B' ' 29' ' ' VAL . 38.3 mm -66.92 -41.34 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.16 -36.55 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 44.9 t80 -62.8 -39.17 93.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.17 -35.29 79.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.14 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 23.4 t80 -55.35 -47.35 75.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 171.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.44 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 175.049 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.33 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.32 -32.81 53.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.626 1.551 . . . . 0.0 111.197 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.23 87.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.25 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.237 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.43 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.208 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.9 mt -73.9 -31.31 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.258 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.26 -44.87 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 172.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.5 92.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.69 -46.8 88.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.72 95.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.233 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -54.38 -48.24 71.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.65 -35.14 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.64 -42.36 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.23 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -43.98 90.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.05 95.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.27 -39.98 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.207 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.45 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.05 -50.58 67.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' D' ' 39' ' ' ILE . 53.2 t -64.78 -44.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -173.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.21 -47.98 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.1 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.48 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' H' ' 14' ' ' LEU . . . -51.65 -48.63 49.38 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.1 75.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.218 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.28 65.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.276 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.68 -35.73 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.24 87.9 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' C' ' 29' ' ' VAL . 38.5 mm -66.97 -41.34 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.173 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.89 -41.3 97.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.55 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 45.0 t80 -62.78 -39.15 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.27 -35.27 79.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.25 86.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.276 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 23.8 t80 -55.27 -47.32 75.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 171.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.87 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 175.092 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.738 0.304 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.33 -32.8 53.0 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.564 . . . . 0.0 111.209 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.22 87.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.0 -42.21 93.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.215 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.78 91.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.05 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.64 96.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.77 -36.56 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.91 -41.4 97.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.198 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.93 -31.32 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.85 94.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.59 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.6 -46.83 88.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.81 95.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.38 -48.15 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -48.06 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.64 -35.2 79.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.62 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.02 90.22 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.8 -35.16 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.13 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.16 -40.08 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.41 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.63 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.96 -45.43 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.93 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.83 -48.04 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' GLY . . . . . 0.49 ' HA2' HD21 ' D' ' 14' ' ' LEU . . . -51.63 -48.63 49.25 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.17 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 111.22 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.84 -52.39 65.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.72 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.22 88.01 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' D' ' 29' ' ' VAL . 38.3 mm -67.0 -41.32 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.205 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.23 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.61 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 44.9 t80 -62.77 -39.15 93.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.21 -35.31 79.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.17 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 23.4 t80 -55.3 -47.33 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 171.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.46 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 175.067 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.29 -32.84 52.87 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.663 1.576 . . . . 0.0 111.153 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.15 87.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.84 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.02 93.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.54 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.84 -36.56 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.181 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.38 97.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' LEU . . . . . 0.483 HD21 ' HA2' ' X' ' 34' ' ' GLY . 93.5 mt -74.01 -31.32 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.21 -44.91 94.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.51 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.252 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.69 -46.83 88.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.83 95.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.42 -48.16 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.47 -48.05 79.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.5 -35.19 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.8 -42.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.42 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.231 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.28 -40.0 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.92 -43.37 73.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.64 67.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' O' ' 39' ' ' ILE . 53.2 t -64.86 -44.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -173.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.1 -45.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.29 -48.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.58 -39.52 82.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.61 -48.62 49.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.06 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.95 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.198 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -43.22 88.31 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.0 -41.41 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.188 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.27 97.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.213 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.27 -36.45 84.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 44.8 t80 -62.84 -39.11 93.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.3 -35.23 79.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.16 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.265 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.31 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.031 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.84 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.688 1.592 . . . . 0.0 111.208 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.14 -42.11 94.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.97 93.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.46 97.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.96 -36.51 72.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.41 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' T' ' 34' ' ' GLY . 93.5 mt -74.0 -31.22 62.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.31 -44.86 95.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 172.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.61 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.56 -46.82 88.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.75 95.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.36 -48.19 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.238 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.06 79.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.57 -35.22 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -175.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.71 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.16 89.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.79 -35.09 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.201 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.02 96.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.44 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.59 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 29' ' ' VAL . . . . . 0.423 HG21 HD12 ' P' ' 39' ' ' ILE . 53.3 t -64.89 -44.37 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -173.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.41 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.01 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.88 -47.95 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.237 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.62 49.86 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.11 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.221 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.241 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.54 -35.71 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.26 88.17 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.92 -41.39 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.239 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.41 97.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.16 -36.51 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 44.9 t80 -62.78 -39.2 93.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.267 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.07 -35.37 79.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.17 86.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.32 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 171.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.44 -31.97 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 175.094 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.31 -32.81 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.727 1.618 . . . . 0.0 111.208 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.26 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.22 93.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.86 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.98 93.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -60.64 -43.54 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.62 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.44 97.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.232 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 14' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' U' ' 34' ' ' GLY . 93.6 mt -73.97 -31.26 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.28 -44.85 94.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.53 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.7 -46.78 89.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.207 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.3 -48.25 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.04 79.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.63 -35.18 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.76 -42.2 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.39 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.26 -40.01 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.44 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.57 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Q' ' 39' ' ' ILE . 53.4 t -64.93 -44.29 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -173.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.02 -45.34 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.233 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.94 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.267 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.91 -47.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.267 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.69 -39.39 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.11 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.234 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.85 -52.36 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.34 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.03 -41.26 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.232 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.15 -36.53 84.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 44.9 t80 -62.85 -39.18 93.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.189 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.35 79.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.23 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 23.8 t80 -55.35 -47.25 76.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.54 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.038 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.78 0.324 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -32.82 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.657 1.572 . . . . 0.0 111.227 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.21 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.241 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.86 91.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.96 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.85 -36.52 72.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.232 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.41 97.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' V' ' 34' ' ' GLY . 93.7 mt -74.0 -31.29 62.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.9 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.53 92.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.69 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.34 -48.17 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.264 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.01 79.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.12 79.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.76 -42.24 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 173.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -43.99 90.4 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.86 -35.13 76.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.29 -39.96 96.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.45 73.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.64 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' R' ' 39' ' ' ILE . 53.5 t -64.91 -44.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -173.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.04 -45.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.192 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.3 -47.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.96 -48.05 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.63 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.75 -48.51 50.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.09 75.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.225 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 99.7 m -56.9 -52.32 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.66 -35.74 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.26 87.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.92 -41.36 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.276 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.23 -36.5 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.2 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.27 79.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.13 86.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 23.5 t80 -55.34 -47.35 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.47 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 175.064 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.746 0.308 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.25 -32.95 52.96 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.732 1.621 . . . . 0.0 111.148 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.13 -42.07 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.79 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.94 92.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.57 97.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.85 -36.59 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.89 -41.42 97.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' W' ' 34' ' ' GLY . 93.6 mt -73.95 -31.39 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.98 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.61 92.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.83 88.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.82 95.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.36 -48.25 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.37 -48.04 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.23 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -43.96 90.52 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.19 -40.03 96.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.96 -50.67 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' S' ' 39' ' ' ILE . 53.3 t -64.79 -44.38 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -173.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.28 -48.0 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.86 -48.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.53 -39.57 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.17 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.81 -52.34 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.7 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.96 -41.39 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.323 . . . . 0.0 111.155 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.21 -36.52 84.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.273 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 44.7 t80 -62.74 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.221 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.2 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.45 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 23.7 t80 -55.33 -47.37 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 171.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.46 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 175.036 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.22 -32.96 52.69 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.713 1.609 . . . . 0.0 111.138 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.12 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.2 -42.11 94.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.77 91.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.251 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.06 93.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.5 97.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.255 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.98 -36.48 72.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.188 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.0 -41.32 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -74.09 -31.22 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.26 -44.89 94.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.71 -46.73 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -44.79 95.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.46 -48.15 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.61 -35.23 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.69 -42.21 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.37 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.07 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.19 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.99 95.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.245 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.29 -39.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.66 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' T' ' 39' ' ' ILE . 53.1 t -64.76 -44.45 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.02 -45.31 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.25 -47.99 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -48.02 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.64 -48.59 49.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.11 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.89 -52.3 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.67 -35.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.14 -43.17 88.76 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' J' ' 29' ' ' VAL . 38.3 mm -66.99 -41.35 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.193 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.29 97.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.2 -36.5 84.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.24 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.05 -35.43 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 23.6 t80 -55.34 -47.31 75.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 171.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.42 -31.96 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 175.07 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.21 -32.96 52.55 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.683 1.589 . . . . 0.0 111.241 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.21 87.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.08 -42.2 94.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.84 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.93 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.53 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.84 -36.55 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.03 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' Y' ' 34' ' ' GLY . 93.5 mt -73.98 -31.34 62.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.24 -44.87 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.39 -48.17 71.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.06 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.22 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.24 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.14 89.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.79 -35.1 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.09 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.207 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.28 -40.01 96.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.03 -50.56 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' U' ' 39' ' ' ILE . 53.2 t -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.245 -173.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.04 -45.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.21 -48.08 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.85 -48.0 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.67 -39.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.65 49.41 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.23 88.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' ILE . . . . . 0.423 HD12 HG21 ' K' ' 29' ' ' VAL . 38.5 mm -66.93 -41.39 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.31 97.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.39 -36.39 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 44.7 t80 -62.83 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -35.37 79.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.19 86.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.41 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 171.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.39 -31.92 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 175.057 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.843 0.354 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.29 -32.88 53.05 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.677 1.585 . . . . 0.0 111.154 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.0 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.6 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.8 -36.55 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.215 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' Z' ' 34' ' ' GLY . 93.7 mt -73.97 -31.26 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.87 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.46 91.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.62 -46.85 88.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.83 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.44 -48.13 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.52 -47.94 79.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.6 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -175.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.05 90.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.06 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.143 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.97 95.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.238 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.07 96.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.43 73.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.187 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.96 -50.61 67.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' V' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.31 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -48.01 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.83 -48.06 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.52 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.53 50.02 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.12 74.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.753 0.311 . . . . 0.0 111.156 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.34 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.81 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.2 88.04 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' L' ' 29' ' ' VAL . 38.3 mm -67.0 -41.33 87.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.25 -36.48 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 45.0 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.16 -35.35 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.11 86.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 24.0 t80 -55.33 -47.33 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 171.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.47 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.253 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.281 174.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.19 -32.86 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.661 1.574 . . . . 0.0 111.309 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.24 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.84 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.96 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.55 96.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.48 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -61.98 -41.36 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 14' ' ' LEU . . . . . 0.482 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -74.01 -31.33 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.17 -45.0 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.77 95.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.204 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.16 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.64 -42.26 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.96 90.73 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.88 -35.16 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.15 94.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -63.32 -39.96 96.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.38 73.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.55 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' W' ' 39' ' ' ILE . 53.4 t -64.8 -44.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -45.37 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.08 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.6 -39.56 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.58 -48.55 49.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.88 -52.34 65.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.66 -35.76 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.91 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 39' ' ' ILE . . . . . 0.418 HD12 HG21 ' M' ' 29' ' ' VAL . 38.4 mm -66.87 -41.39 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.9 -41.23 97.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.53 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 42' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.37 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 45' ' ' PHE . . . . . 0.436 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 24.1 t80 -55.19 -47.46 75.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 171.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.43 -31.9 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 175.07 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.813 0.34 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.11 -32.88 51.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.629 1.552 . . . . 0.0 111.292 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.22 87.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.02 -42.13 93.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.263 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.84 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.89 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.64 -43.48 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.221 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.9 -36.51 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.49 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 14' ' ' LEU . . . . . 0.469 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.97 -31.32 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.9 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.65 92.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.64 -46.82 88.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.69 95.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.49 -48.03 79.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.19 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.78 -42.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.98 90.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.88 -35.09 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.04 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.2 -40.04 96.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.4 73.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 29' ' ' VAL . . . . . 0.427 HG21 HD12 ' X' ' 39' ' ' ILE . 53.4 t -64.81 -44.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.05 -45.28 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.33 -47.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.91 -48.03 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.47 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.19 -46.11 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.82 -52.38 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.62 -35.67 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.13 88.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' N' ' 29' ' ' VAL . 38.5 mm -66.96 -41.34 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.808 0.337 . . . . 0.0 111.267 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.28 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 44.8 t80 -62.72 -39.21 93.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.228 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.35 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.209 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.38 -37.09 86.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 23.8 t80 -55.42 -47.29 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.5 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 175.011 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.3 -32.84 52.93 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.71 1.606 . . . . 0.0 111.169 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.25 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.9 91.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.95 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.219 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.5 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.59 72.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.87 -41.48 97.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.6 mt -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.51 91.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.59 -46.85 88.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.82 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.33 -48.19 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.47 -48.08 79.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.18 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.19 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -44.04 90.52 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -68.78 -35.13 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 111.265 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.01 95.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -40.03 96.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.75 -43.43 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.63 67.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' Y' ' 39' ' ' ILE . 53.4 t -64.78 -44.44 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.0 -45.34 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.22 -48.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.76 -48.08 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.282 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.51 -39.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' K' ' 14' ' ' LEU . . . -51.64 -48.61 49.35 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.0 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.277 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.93 -52.32 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.21 88.03 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' O' ' 29' ' ' VAL . 38.2 mm -67.03 -41.32 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.34 97.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.22 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 45.0 t80 -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.4 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 23.4 t80 -55.26 -47.44 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 171.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.43 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 175.09 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.25 -32.93 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.719 1.613 . . . . 0.0 111.126 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.19 87.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.2 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.81 91.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.04 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.41 97.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.58 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.85 -41.49 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 14' ' ' LEU . . . . . 0.489 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.6 mt -73.97 -31.23 62.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.88 95.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 172.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.41 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.266 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.7 -46.83 88.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.43 -48.16 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.07 79.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.63 -35.22 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.209 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.09 90.04 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.83 -35.13 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.179 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.97 95.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.22 -40.06 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.63 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Z' ' 39' ' ' ILE . 53.3 t -64.78 -44.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -173.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.95 -45.38 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.216 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.24 -48.0 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -47.98 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.72 -39.36 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 34' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' L' ' 14' ' ' LEU . . . -51.69 -48.62 49.68 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.08 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.211 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.4 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.06 88.61 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' P' ' 29' ' ' VAL . 38.2 mm -67.06 -41.32 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.17 -36.53 84.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 44.9 t80 -62.94 -39.03 93.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.241 175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.16 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 23.8 t80 -55.3 -47.33 75.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -65.51 -31.85 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 175.095 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.22 -32.86 52.24 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.652 1.568 . . . . 0.0 111.246 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.11 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.16 -42.06 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.9 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.97 93.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.57 97.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.4 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.7 mt -74.0 -31.3 62.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.86 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.261 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.87 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.34 -48.2 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.05 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.15 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.69 -42.22 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.244 173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.06 90.33 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.77 -35.16 76.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.05 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -39.91 95.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.36 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.72 67.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 29' ' ' VAL . . . . . 0.417 HG21 HD12 ' A' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.02 -45.32 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.79 -48.08 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 34' ' ' GLY . . . . . 0.479 ' HA2' HD21 ' M' ' 14' ' ' LEU . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.33 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.58 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.15 -43.13 88.81 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 39' ' ' ILE . . . . . 0.425 HD12 HG21 ' Q' ' 29' ' ' VAL . 38.3 mm -67.01 -41.35 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.188 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 45.1 t80 -62.85 -39.15 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 175.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.44 79.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.25 -37.2 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 175.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 23.4 t80 -55.39 -47.3 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.45 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.24 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.028 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.16 -32.85 51.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.632 1.555 . . . . 0.0 111.283 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.13 -42.08 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.87 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.03 93.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.55 -43.54 97.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.51 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.87 -41.45 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -74.03 -31.25 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.88 95.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.68 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.68 95.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.54 -48.14 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.06 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.71 -42.29 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.46 -44.04 90.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.82 -35.1 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.0 95.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.218 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -40.01 96.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.54 73.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.58 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' B' ' 39' ' ' ILE . 53.5 t -64.89 -44.35 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -173.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.31 -47.99 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.88 -48.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.57 -39.51 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' N' ' 14' ' ' LEU . . . -51.72 -48.56 49.98 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.1 75.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.217 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.92 -52.34 65.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.67 -35.66 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.19 88.25 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' R' ' 29' ' ' VAL . 38.3 mm -66.96 -41.42 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 111.211 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.21 97.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.252 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.56 84.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 44.7 t80 -62.75 -39.24 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.32 79.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.266 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.09 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.37 75.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 171.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 62.8 p -65.4 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 175.083 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.79 0.329 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.28 -32.88 52.91 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.698 1.599 . . . . 0.0 111.152 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.3 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.77 91.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.02 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.53 -43.58 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.9 -36.47 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.02 -41.34 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -74.06 -31.22 62.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.28 -44.85 94.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.51 91.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.85 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.31 -48.24 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.26 79.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.1 90.18 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.74 -35.16 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.179 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.01 96.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.246 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.75 67.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' C' ' 39' ' ' ILE . 53.3 t -64.74 -44.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.0 -45.3 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.267 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -48.12 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.7 -39.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 34' ' ' GLY . . . . . 0.483 ' HA2' HD21 ' J' ' 14' ' ' LEU . . . -51.75 -48.58 50.15 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.19 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 99.9 m -56.97 -52.3 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.66 -35.68 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.12 88.63 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 39' ' ' ILE . . . . . 0.427 HD12 HG21 ' S' ' 29' ' ' VAL . 38.4 mm -66.98 -41.36 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 111.197 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.4 97.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -36.5 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 45.0 t80 -62.8 -39.14 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.218 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.32 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.16 86.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 23.8 t80 -55.34 -47.35 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.38 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 175.091 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.332 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.32 -32.89 53.35 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.7 1.6 . . . . 0.0 111.16 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.21 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.19 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.53 97.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.56 72.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.89 -41.41 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.5 mt -74.08 -31.17 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.99 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.58 92.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.85 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.74 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.43 -48.14 72.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.13 79.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.67 -42.29 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.05 90.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.73 -35.19 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 111.235 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.03 95.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.06 96.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.39 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.58 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' D' ' 39' ' ' ILE . 53.3 t -64.82 -44.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -173.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.99 -45.26 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.35 -47.95 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -48.04 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.67 -39.46 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' P' ' 14' ' ' LEU . . . -51.63 -48.64 49.23 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.87 -52.35 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.6 -35.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -43.28 87.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' T' ' 29' ' ' VAL . 38.7 mm -66.92 -41.41 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.176 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.26 97.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.25 -36.47 84.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 44.9 t80 -62.89 -39.12 93.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.29 79.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.22 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 23.7 t80 -55.23 -47.35 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.264 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.38 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.216 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 175.158 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.778 0.323 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.87 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.664 1.576 . . . . 0.0 111.18 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.08 -42.14 93.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.75 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.6 97.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -41.44 97.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.6 mt -73.95 -31.19 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.97 94.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.55 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.59 -46.86 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.72 95.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.48 -48.13 72.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.24 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.71 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.35 -44.14 89.76 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.81 -35.07 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.03 95.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.33 -40.01 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.42 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.6 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.84 -44.37 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 -173.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.91 -45.45 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.21 -47.96 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.261 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -48.06 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' Q' ' 14' ' ' LEU . . . -51.69 -48.57 49.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.24 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.91 -52.32 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.22 88.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' U' ' 29' ' ' VAL . 38.4 mm -66.96 -41.37 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 42' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.32 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.18 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 45' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 23.9 t80 -55.27 -47.4 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 171.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -65.4 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.247 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 175.048 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.789 0.328 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.3 -32.87 53.05 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.674 1.583 . . . . 0.0 111.186 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.31 87.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.218 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.17 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.87 91.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.94 93.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.54 97.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.93 -36.53 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.85 -41.45 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.04 -31.28 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.52 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.25 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.41 -48.18 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.17 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.72 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.03 90.34 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.79 -35.11 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.224 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.01 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -39.93 95.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.44 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.77 -44.38 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.0 -45.39 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -47.97 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.85 -48.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.62 -39.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -48.56 50.42 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.88 -52.29 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -43.2 88.5 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 38.2 mm -66.96 -41.33 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.698 0.285 . . . . 0.0 111.155 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.28 97.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.84 -39.25 93.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.34 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.3 -37.19 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.32 -47.31 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.41 -31.99 73.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 175.112 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.31 -32.81 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.68 1.587 . . . . 0.0 111.197 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.14 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.06 -42.15 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.81 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.47 -43.55 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.284 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.91 -36.49 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.95 -41.42 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.95 -31.36 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.21 -44.91 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.83 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.73 95.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.4 -48.17 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -48.1 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.17 79.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.78 -42.18 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.57 -43.95 90.88 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.26 -39.99 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.44 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.66 67.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.82 -44.37 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.94 -45.4 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.21 -48.04 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 -177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.57 -39.49 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.73 -48.56 50.03 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.14 75.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.38 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.15 88.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.96 -41.37 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.202 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.92 -41.25 97.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.22 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.67 -39.28 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.223 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.29 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.211 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.16 86.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -47.26 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 171.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.52 -32.0 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.114 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 175.1 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.97 53.05 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.18 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.02 -42.23 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.22 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.92 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.64 97.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.81 -36.54 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.233 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.88 -41.4 97.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.241 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.38 62.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.94 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.48 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.6 -46.9 88.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.87 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.3 -48.23 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.1 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.66 -35.12 79.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.66 -42.25 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.03 90.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -34.98 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.0 95.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.51 72.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.59 67.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.84 -44.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.03 -45.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.18 -48.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.94 -47.95 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.64 -39.48 82.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.69 -48.56 49.83 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.09 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 111.151 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.96 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.37 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.11 -41.23 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 111.171 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.33 97.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.253 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.17 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.75 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.245 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.36 79.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.32 -47.34 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.54 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 175.065 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.772 0.32 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.85 52.43 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.744 1.629 . . . . 0.0 111.24 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.25 87.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.15 94.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.51 -43.57 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.82 -36.56 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.45 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.98 -31.32 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.9 94.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.176 172.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.59 92.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.58 -46.83 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.81 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.36 -48.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.272 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.96 79.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.27 79.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -175.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.63 -42.19 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.254 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.02 90.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.23 -40.08 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.55 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.6 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.8 -44.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.09 -45.29 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.81 -48.04 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.63 -48.61 49.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.13 75.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.329 . . . . 0.0 111.152 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 99.1 m -56.91 -52.35 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.206 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.18 88.4 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.08 -41.35 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.13 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.32 97.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.209 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.25 -36.49 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.13 -35.29 79.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.42 -37.12 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.26 -47.38 75.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.48 -31.85 73.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.172 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 175.079 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.89 52.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.712 1.608 . . . . 0.0 111.145 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.86 91.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.95 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.54 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.47 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.29 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.19 -44.92 94.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.24 172.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.5 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.67 -46.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.85 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.35 -48.24 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.42 -48.02 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.23 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.6 -42.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.42 -44.06 90.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.84 -35.14 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.165 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.03 95.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.0 96.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.08 -50.55 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -44.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.34 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.235 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.28 -47.99 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.88 -48.0 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.265 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.58 -39.48 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -48.6 50.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.06 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.285 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.57 -35.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.21 88.32 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.99 -41.28 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.26 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.53 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.82 -39.17 93.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.35 79.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.42 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.188 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 175.128 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.752 0.31 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.26 -32.92 52.92 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 121.683 1.589 . . . . 0.0 111.173 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.1 93.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.296 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.88 91.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.46 -43.62 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.253 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.4 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.0 -31.32 62.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.17 -44.95 94.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.6 -46.85 88.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.73 95.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.99 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.77 -42.2 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.92 90.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -35.1 76.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.107 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.09 95.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.178 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.15 -40.05 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.255 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.48 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.04 -50.59 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.89 -44.28 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -173.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.42 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.97 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.9 -47.95 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.5 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.19 75.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.169 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.87 -52.39 65.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.6 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.14 88.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.4 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.13 -36.53 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.84 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.39 79.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.15 86.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.37 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.46 -31.92 73.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 175.042 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.23 -32.93 52.67 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.745 1.63 . . . . 0.0 111.201 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.15 87.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.09 -42.13 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.75 91.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.06 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.58 96.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.88 -36.48 72.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.95 -41.39 97.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.24 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.91 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.82 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 94.1 m -54.32 -48.23 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.262 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -47.99 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.264 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.71 -35.12 79.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.8 -42.17 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.11 89.93 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.07 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.01 95.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.23 -40.08 96.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.45 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.61 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.79 -44.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.9 -45.45 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.22 -48.03 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -47.98 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.24 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.57 -39.47 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.91 -52.37 65.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.68 -35.69 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.2 88.2 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.01 -41.42 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 111.143 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.21 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.36 -36.47 84.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.81 -39.21 93.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.34 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.24 86.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.26 -47.45 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.2 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.047 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.781 0.324 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.25 -32.9 52.73 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.694 1.596 . . . . 0.0 111.189 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.22 87.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.19 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.17 -42.08 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.82 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.6 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.88 -41.45 97.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.94 -31.25 62.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.9 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.19 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.82 88.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.85 95.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.226 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.37 -48.14 71.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.268 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.05 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.3 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.64 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.01 90.33 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.81 -35.17 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.14 94.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -39.99 96.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.1 -50.52 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.86 -44.34 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.32 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.32 -48.01 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.88 -48.03 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.55 -39.49 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.7 -48.55 49.92 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.15 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.91 -52.32 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.72 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.18 88.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.12 -41.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.704 0.288 . . . . 0.0 111.075 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.163 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.16 -36.59 84.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.84 -39.1 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 175.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 62.2 p -65.49 -31.82 73.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.204 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 175.067 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.26 -32.82 52.43 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.66 1.574 . . . . 0.0 111.271 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -47.13 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.2 -42.08 94.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.82 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.52 97.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.94 -36.51 72.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.24 -44.92 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 172.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.57 92.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.89 88.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.77 95.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.38 -48.24 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.46 -48.08 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.54 -35.21 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.7 -42.23 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.234 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.36 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.89 -35.05 76.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.08 94.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.247 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.04 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.53 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.194 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.6 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.82 -44.4 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.224 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.99 -45.39 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.0 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.83 -48.16 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.53 -39.45 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.6 49.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.1 75.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.234 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.24 88.05 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.36 87.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.33 97.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.48 84.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.92 -39.09 93.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.35 -47.36 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.46 -31.89 73.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 175.062 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.51 120.44 11.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.69 62.27 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.04 -0.4 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 111.245 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.4 116.19 64.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.21 -31.51 55.87 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.691 1.594 . . . . 0.0 111.151 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.76 81.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.41 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.263 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.08 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.27 88.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.41 -38.1 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.33 -41.17 98.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.55 -33.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.41 97.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -44.38 90.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.48 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -55.59 -45.17 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.52 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -173.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.43 -43.77 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 168.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.13 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.84 -45.03 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.72 -49.47 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.84 -28.83 35.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.235 -173.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' R' ' 10' ' ' ALA . 22.4 t -64.74 -43.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.33 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.2 -51.78 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -65.0 -42.35 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.01 8.6 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.01 73.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.223 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.98 -54.11 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.71 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.193 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -48.08 75.03 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.57 -41.19 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 111.112 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.59 76.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -36.07 83.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 53.1 t80 -64.99 -36.98 86.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 3.6 t80 -56.48 -50.01 72.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 172.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -64.91 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.05 59.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 172.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.11 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.256 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.38 0.53 51.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.196 179.325 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.739 0.304 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.51 120.45 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.74 -9.64 62.19 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.05 -0.48 47.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -86.34 116.33 65.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.29 -31.46 56.59 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.752 1.635 . . . . 0.0 111.188 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.66 81.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.44 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.3 -45.36 88.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.99 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.11 85.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -62.35 -41.2 98.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.51 -33.23 70.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.223 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.61 97.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -44.41 90.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.77 -48.42 81.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.24 77.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.71 -48.05 82.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.54 60.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 -174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.32 -43.89 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.6 82.96 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.56 -43.01 95.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.228 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.16 89.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TRP . . . . . 0.401 ' O ' HG23 ' B' ' 30' ' ' VAL . 23.7 m95 -67.91 -45.01 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.82 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.266 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.48 62.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.241 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' B' ' 10' ' ' ALA . 22.4 t -64.72 -43.43 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 172.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.52 -43.9 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -51.74 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.236 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.04 -42.37 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.06 8.44 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.4 -44.95 73.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.294 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.0 -54.14 49.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.47 -32.72 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.236 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.14 75.29 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.4 -41.25 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 111.251 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.58 76.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.01 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 53.2 t80 -64.94 -37.01 86.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.91 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.285 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.208 175.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 3.7 t80 -56.48 -50.04 72.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 73.7 p -64.8 -29.73 70.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.33 -49.01 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.06 -28.19 69.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.42 0.64 51.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.2 -1.507 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.224 179.265 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.5 120.42 11.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.62 62.29 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.13 -0.45 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.166 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.13 64.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.21 -31.51 55.91 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.69 1.593 . . . . 0.0 111.207 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.67 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.242 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.37 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.93 96.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.214 175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -45.39 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.09 -50.84 72.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.32 -38.17 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.33 -41.14 98.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.198 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.22 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.155 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.51 97.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.08 -44.03 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.25 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.57 -45.17 77.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.224 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.191 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.37 -43.87 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 168.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.6 -41.57 82.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.61 -43.0 95.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.21 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.76 -45.15 75.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.89 77.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.63 -49.46 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.202 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.74 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -173.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.75 -43.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 172.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.3 -51.73 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.98 -42.38 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.99 8.7 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 -45.05 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 111.198 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.07 -54.06 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.69 30.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -47.99 76.96 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.244 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.6 76.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.36 -35.89 82.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 53.3 t80 -65.0 -37.01 86.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.19 173.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.79 -35.86 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 3.6 t80 -56.63 -49.95 73.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 172.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 71.2 p -64.87 -29.64 70.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.27 -49.1 59.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.99 -28.19 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.43 0.68 51.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.6 120.45 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 -9.67 62.23 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.1 -0.45 47.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.355 . . . . 0.0 111.177 -178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.28 116.17 64.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.22 -31.53 56.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.713 1.609 . . . . 0.0 111.131 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.68 81.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.204 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.4 79.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.08 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . 0.408 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.28 -45.32 88.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.14 -50.75 72.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.42 -38.17 86.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.29 -41.17 98.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.52 -33.29 71.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.13 -41.48 97.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.39 90.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.98 -44.12 97.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.46 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -58.55 -48.15 81.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.55 60.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.31 -43.9 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 168.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.49 82.53 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.62 -43.07 94.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 111.158 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.22 89.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.82 -45.04 75.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -43.9 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.59 -49.59 62.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.82 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.19 -173.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' U' ' 10' ' ' ALA . 22.9 t -64.64 -43.48 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.278 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.37 -44.01 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -51.73 67.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.07 -42.31 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.43 -57.03 8.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -60.01 -54.06 50.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.238 -175.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.66 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.1 75.46 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.52 -41.09 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.267 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.68 -43.58 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.26 -36.01 82.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.211 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . 0.413 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 53.5 t80 -64.92 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.9 82.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.217 173.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.97 76.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 3.7 t80 -56.51 -50.06 72.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.207 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 76.4 p -64.83 -29.81 70.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.129 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.25 -49.05 59.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.11 -28.17 69.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.163 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.4 0.63 51.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.601 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 179.312 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.332 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.57 120.55 11.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.61 -9.63 62.46 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.02 -0.55 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 111.199 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.18 116.18 64.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.1 -31.59 55.19 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.824 1.683 . . . . 0.0 111.256 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.74 81.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.229 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.35 79.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.96 96.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.26 -45.29 88.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.17 -50.8 72.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.22 86.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.185 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.28 -41.17 98.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.58 -33.2 70.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.09 -41.5 97.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.41 90.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.02 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.45 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.56 -45.18 77.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.57 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.196 -173.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.3 -43.89 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 168.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.5 82.57 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.07 94.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.95 -45.02 75.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.02 76.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.6 62.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.89 -28.75 34.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.273 -173.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' E' ' 10' ' ' ALA . 22.8 t -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 172.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -44.0 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -51.78 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.06 -42.34 94.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.1 8.45 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.05 -54.0 51.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.238 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.54 -32.67 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.84 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.56 -41.14 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.57 -43.66 76.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.28 -36.01 82.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 53.1 t80 -64.94 -36.99 86.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.74 -35.97 82.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.93 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.0 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 172.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.84 -29.74 70.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.221 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.37 -48.95 59.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 172.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.16 -28.15 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.68 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.583 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.49 120.48 11.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.194 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.62 -9.62 62.42 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.51 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.723 0.297 . . . . 0.0 111.156 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.24 65.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.283 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.24 -31.46 55.93 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.733 1.622 . . . . 0.0 111.191 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.39 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.08 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.22 -45.3 88.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.1 -50.83 72.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.44 -38.18 86.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.22 -41.19 98.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.194 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.55 -33.31 70.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.96 -41.58 97.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.37 90.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.97 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.48 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.59 -45.11 77.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.228 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.2 81.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.64 -25.6 60.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.237 -173.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.33 -43.78 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.53 83.12 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.277 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.12 89.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.08 75.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.89 76.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.49 62.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.93 -28.78 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' W' ' 10' ' ' ALA . 22.8 t -64.67 -43.54 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.224 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -51.81 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.1 -42.26 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.0 8.58 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.11 73.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.703 0.287 . . . . 0.0 111.143 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.03 -54.03 50.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.74 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.08 75.37 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.12 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 111.189 175.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.67 76.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.29 -35.9 82.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 52.9 t80 -65.03 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.272 173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.82 82.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 173.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.03 -33.99 76.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.94 73.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 172.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 74.3 p -64.95 -29.65 70.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.36 -48.96 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 172.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.18 -28.07 69.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.62 51.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.176 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.595 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.243 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.785 0.326 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.53 120.43 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.66 62.25 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.96 -0.61 47.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 111.257 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.22 116.18 64.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.13 -31.62 55.62 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.7 1.6 . . . . 0.0 111.209 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.71 81.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.28 -42.41 79.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.27 -45.26 88.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.16 -50.82 72.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.161 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.1 85.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.233 -178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.35 -41.17 98.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.51 -33.27 71.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.214 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.58 97.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -44.47 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.95 -44.18 97.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.36 -45.35 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.73 -25.5 60.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -173.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.44 -43.81 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.48 82.66 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 171.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.08 95.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 111.252 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.7 -45.14 75.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.98 77.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.56 62.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.83 -28.81 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' G' ' 10' ' ' ALA . 22.5 t -64.74 -43.44 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.45 -43.92 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.3 -51.72 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.11 -42.29 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.12 8.44 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.13 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 111.218 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -59.97 -54.05 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.26 -175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.64 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -47.96 77.27 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.61 -41.1 89.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.336 . . . . 0.0 111.192 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.71 -43.58 76.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -35.98 82.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.217 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 53.0 t80 -65.05 -36.88 85.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 173.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.88 -35.87 82.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -33.99 76.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 3.6 t80 -56.59 -50.05 73.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.68 70.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.26 -49.08 59.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.17 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.17 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.7 51.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.199 -1.57 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.54 120.4 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.73 -9.67 62.24 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.06 -0.51 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.26 116.17 64.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.53 55.67 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.719 1.613 . . . . 0.0 111.214 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.225 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.45 79.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.04 96.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.36 88.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.08 -50.79 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.34 -38.27 86.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.26 -41.19 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.51 -33.29 71.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.1 -41.51 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.4 90.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.216 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.53 81.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.229 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.45 -45.25 76.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.05 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.23 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.73 -25.51 60.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.78 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 168.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.73 -41.53 83.02 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 171.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -42.99 95.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 111.176 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.19 89.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.214 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.8 -45.06 75.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.174 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.88 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.264 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.72 -49.55 62.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.9 -28.7 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.79 -43.47 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.39 -43.91 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.29 -51.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.93 -42.42 94.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.01 8.59 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.11 73.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 111.241 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 95.8 m -60.03 -54.08 50.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.76 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.05 76.02 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.54 -41.18 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.242 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.63 -43.52 76.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 175.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.37 -35.96 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 52.9 t80 -64.99 -36.92 85.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.23 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.92 82.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.98 76.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 3.7 t80 -56.54 -50.01 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.23 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.23 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.23 -49.09 59.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.02 -28.19 69.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.65 51.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.317 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.819 0.342 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.44 11.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.63 62.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.55 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.193 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.24 116.2 64.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.13 -31.61 55.53 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.681 1.587 . . . . 0.0 111.188 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.66 81.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.39 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.1 96.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.44 88.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.83 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.4 -38.18 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.25 98.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 176.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.47 -33.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.49 97.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.96 -44.11 97.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.54 -45.2 77.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.11 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.25 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.66 -25.63 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.224 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.32 -43.79 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.263 168.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.52 83.09 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.03 94.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.152 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.08 89.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.237 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.89 -45.04 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.196 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.0 76.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.232 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.68 -49.53 62.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.69 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' Z' ' 10' ' ' ALA . 22.5 t -64.8 -43.46 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 172.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.4 -43.92 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.12 -51.93 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.92 -42.29 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.262 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.13 8.49 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.1 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 111.236 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -60.0 -54.03 50.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.72 30.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.98 76.83 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.12 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.56 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.23 -35.99 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 53.6 t80 -65.06 -36.92 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.168 173.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.99 82.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 173.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 3.6 t80 -56.6 -49.91 73.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 172.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.87 -29.77 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.24 -49.04 59.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 172.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.14 69.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.66 51.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 179.281 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.53 11.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.63 -9.65 62.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.09 -0.49 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.2 116.2 64.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.258 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.25 -31.5 56.25 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.738 1.626 . . . . 0.0 111.21 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.64 81.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.36 -42.32 79.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.04 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.218 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.33 88.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.83 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.11 85.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.63 -33.18 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.25 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.48 90.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.95 -44.19 97.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.45 81.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.28 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.55 -45.21 77.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.63 -48.1 82.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.78 -25.45 60.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.44 -43.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 168.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.53 82.99 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 111.19 176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.15 89.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.09 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.234 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.58 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.88 -28.83 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -173.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 23.0 t -64.59 -43.52 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 172.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.33 -44.02 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.24 -51.73 67.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.31 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.02 8.62 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -45.01 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 111.211 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -59.99 -54.15 49.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -175.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.57 -32.59 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.17 75.12 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.43 -41.27 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.5 -43.7 75.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.98 82.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 53.2 t80 -65.02 -36.93 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 173.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.12 77.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 3.6 t80 -56.44 -50.02 72.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 172.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 76.0 p -64.97 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.3 -49.05 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.05 -28.12 69.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.246 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.57 51.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.792 0.33 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.51 120.41 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.193 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.66 62.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.98 -0.47 47.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.17 64.83 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.27 -31.42 56.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.68 1.587 . . . . 0.0 111.177 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.3 -42.36 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.02 96.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.215 175.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' T' ' 30' ' ' VAL . . . -64.28 -45.3 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 175.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.86 71.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.207 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.4 -38.1 85.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.32 -41.28 98.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.43 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.52 97.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.42 90.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.95 -44.15 97.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.174 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.56 81.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.55 -45.15 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.66 -48.07 82.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.71 -25.54 60.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.37 -43.82 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.67 -41.57 82.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.51 -43.14 95.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 111.196 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.25 89.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.218 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.77 -45.12 75.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.92 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.2 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.56 62.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.77 -28.87 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.7 -43.41 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.278 172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.42 -44.0 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.24 -51.73 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.54 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.38 -45.04 73.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.04 -54.07 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -74.45 -32.66 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -48.04 76.52 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.58 -41.15 90.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.51 -43.74 75.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.19 -35.92 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 42' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 53.0 t80 -65.15 -36.87 85.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 173.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.96 82.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.94 76.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 3.6 t80 -56.57 -50.03 73.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 172.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.87 -29.62 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -69.39 -49.03 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 172.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.13 69.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.64 51.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.138 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 C--O 1.199 -1.594 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.269 179.23 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.764 0.316 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.61 120.48 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.167 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.67 62.26 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.0 -0.55 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.31 116.21 64.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.17 -31.6 55.86 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.699 1.6 . . . . 0.0 111.199 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.73 -36.75 81.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.37 79.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.96 96.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' U' ' 30' ' ' VAL . . . -64.28 -45.29 88.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.78 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.46 -38.13 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.38 -41.17 98.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.5 -33.23 70.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.41 90.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.212 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.89 -44.22 97.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.59 81.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.206 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.43 -45.23 76.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.08 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.55 60.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.38 -43.79 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.56 82.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 171.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.08 94.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.26 89.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.69 -45.19 75.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.88 76.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.66 -49.51 62.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.81 34.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -173.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.72 -43.43 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.97 98.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.2 -51.81 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.04 -42.32 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.05 8.55 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.09 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 111.239 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.94 -54.15 49.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.48 -32.65 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -47.98 76.6 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.08 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.174 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.6 76.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.24 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 53.5 t80 -65.0 -36.92 85.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.92 82.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.92 -34.08 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.96 73.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 172.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 75.8 p -64.98 -29.68 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.28 -49.01 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.187 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.18 -28.13 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.39 0.64 51.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.241 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.241 179.287 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.72 0.295 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.45 120.46 11.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.64 -9.64 62.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -96.97 -0.56 47.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 111.203 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.22 65.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.12 -31.62 55.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.75 1.633 . . . . 0.0 111.159 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.65 81.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.33 -42.32 79.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.205 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.37 88.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.11 -50.77 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.36 -38.12 85.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.34 -41.17 98.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.57 -33.16 70.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.19 -41.45 97.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.237 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.39 90.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.98 -44.15 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -48.58 81.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.41 -45.29 76.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.55 60.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 -174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.38 -43.88 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 168.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.52 82.65 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.15 94.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.19 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.75 -45.08 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.96 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.5 62.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.71 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.45 -43.96 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.25 -51.7 67.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.14 -42.33 94.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.06 8.56 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.36 -45.05 73.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.09 -54.04 50.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.184 -175.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mm -74.53 -32.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.3 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.55 -41.08 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.747 0.308 . . . . 0.0 111.22 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.58 76.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.0 82.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 42' ' ' PHE . . . . . 0.415 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 53.4 t80 -64.91 -36.98 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 173.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -64.82 -35.98 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 173.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 3.7 t80 -56.57 -49.98 73.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 172.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 75.9 p -64.99 -29.63 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.29 -49.0 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.09 -28.12 69.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.74 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.118 179.354 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.746 0.308 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.47 120.44 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.68 62.21 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.04 -0.56 47.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.217 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.29 116.2 64.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.24 -31.47 56.04 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 121.64 1.56 . . . . 0.0 111.184 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.76 82.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.38 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.205 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.97 96.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' W' ' 30' ' ' VAL . . . -64.28 -45.38 88.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -57.98 -50.86 71.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.19 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.21 -41.23 98.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.55 -33.23 70.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.181 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.5 97.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.43 90.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -44.06 97.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.229 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.81 -48.48 81.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.37 -45.27 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.257 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.7 -48.06 82.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.56 60.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.173 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.3 -43.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 168.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.78 -41.52 83.4 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.04 95.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.276 176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.12 89.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.88 -45.0 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.89 77.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.64 -49.45 62.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.181 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.72 -43.46 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.41 -43.92 98.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.241 174.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.3 -51.72 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.37 94.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.238 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.04 8.53 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.03 73.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 111.135 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -59.97 -54.15 49.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.221 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.65 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.197 -177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.08 75.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.48 -41.2 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.21 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.57 76.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.97 82.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 53.2 t80 -65.06 -36.91 85.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.181 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.87 -35.91 82.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.96 -33.97 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.1 72.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 172.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 72.6 p -64.81 -29.65 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.284 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.32 -48.97 59.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.16 -28.07 69.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.64 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.228 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.348 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.833 0.349 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.54 120.44 11.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.223 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.69 62.21 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.97 -0.61 47.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 111.18 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.22 64.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.19 -31.56 55.96 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.687 1.591 . . . . 0.0 111.234 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.82 81.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.44 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.01 96.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.233 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.41 88.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.1 -50.84 72.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.38 -38.14 85.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.25 -41.3 98.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.46 -33.24 71.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.18 -41.44 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.04 -44.13 97.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.48 -45.3 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.58 -48.14 81.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.69 -25.55 60.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.35 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 168.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.57 82.47 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.05 95.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 111.24 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.17 89.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.86 -45.08 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.96 77.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.57 -49.53 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.242 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.04 -28.71 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 t -64.71 -43.52 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 172.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.37 -43.96 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.27 -51.76 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.99 -42.38 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.03 8.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.05 73.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 95.5 m -60.04 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 -175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.51 -32.69 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -48.05 75.77 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.63 -41.09 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.69 -43.52 76.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.24 -36.03 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.229 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 52.9 t80 -64.96 -36.97 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.9 82.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.0 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 3.6 t80 -56.54 -50.04 73.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 172.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.84 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.29 -49.0 59.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -28.13 69.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.59 51.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.199 -1.574 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 179.293 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.44 120.43 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.62 62.23 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.04 -0.61 46.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.237 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.28 116.21 64.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -53.2 -31.48 55.63 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.653 1.569 . . . . 0.0 111.192 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.72 81.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.53 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.04 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' Y' ' 30' ' ' VAL . . . -64.26 -45.31 88.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.9 71.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.33 -38.19 86.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -62.28 -41.2 98.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.5 -33.33 71.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.08 -41.51 97.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.62 -44.47 90.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -62.01 -44.08 97.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.5 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.24 77.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.61 -48.16 81.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.56 -25.7 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.225 -174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 85.2 mt -64.24 -43.84 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.266 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.46 82.98 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.63 -43.08 94.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 111.15 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.09 89.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.82 -45.1 75.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.63 -43.97 76.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.27 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.62 -49.52 62.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.226 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.97 -28.76 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.229 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.67 -43.53 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 172.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.41 -43.91 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.76 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.19 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.13 -42.24 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.224 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.55 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.33 -45.01 74.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.247 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -60.03 -54.07 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.231 -175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.63 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.229 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.56 -41.18 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.174 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.65 -43.57 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.99 82.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' PHE . . . . . 0.412 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 53.3 t80 -64.97 -36.93 85.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 173.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.86 -35.95 82.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -33.97 76.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 45' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 3.7 t80 -56.52 -50.07 72.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 73.2 p -64.8 -29.71 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.32 -48.97 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.13 -28.17 69.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.69 51.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.275 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 179.239 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.47 120.38 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.64 62.19 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -97.11 -0.42 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.731 0.301 . . . . 0.0 111.159 -178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.33 116.21 64.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.18 -31.58 55.9 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.657 1.571 . . . . 0.0 111.165 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.24 -42.39 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 10' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' Z' ' 30' ' ' VAL . . . -64.29 -45.34 88.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 175.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.08 -50.8 72.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.11 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.14 98.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.228 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.257 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.17 -41.54 97.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.47 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.221 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.99 -44.14 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.26 77.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.63 -48.08 82.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.57 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -174.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.39 -43.82 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.163 168.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.64 82.99 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.55 -43.08 95.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 0.0 111.2 176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.09 89.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.261 -177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.83 -45.12 75.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.188 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.95 77.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.61 -49.53 62.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.203 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.96 -28.68 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.73 -43.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.0 -42.39 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.27 -57.12 8.39 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.2 73.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 111.157 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -59.93 -54.08 50.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.55 -32.64 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.08 75.69 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.5 -41.22 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.21 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.58 -43.62 76.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -36.02 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 42' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 52.9 t80 -64.91 -36.99 86.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -35.93 82.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 3.6 t80 -56.56 -49.99 73.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 172.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.86 -29.74 70.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.01 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 172.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.16 -28.08 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.65 51.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.268 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.44 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.75 62.3 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.5 47.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.322 . . . . 0.0 111.209 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.26 65.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -53.23 -31.59 56.49 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.72 1.613 . . . . 0.0 111.175 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.8 81.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.4 79.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.05 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . 0.403 ' HB2' HG13 ' A' ' 30' ' ' VAL . . . -64.22 -45.33 88.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.25 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.07 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.14 85.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.12 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.55 -33.28 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.14 -41.47 97.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.45 90.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.236 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.48 -45.23 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.04 82.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.52 60.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.37 -43.88 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 168.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.65 -41.52 82.47 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.7 -43.04 94.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.17 89.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.242 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -67.74 -45.13 75.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.89 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.186 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.62 -49.57 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.81 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.5 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.241 172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.32 -44.02 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 67.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.164 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.41 94.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.152 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -56.99 8.65 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.16 73.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.165 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -59.97 -54.06 50.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.48 -32.75 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.03 75.81 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.63 -41.14 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.59 -43.61 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -36.03 82.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 53.2 t80 -64.89 -37.04 86.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.79 -35.92 82.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.1 77.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.227 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 3.7 t80 -56.45 -50.12 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 172.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -64.78 -29.67 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -69.36 -49.08 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.161 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -65.06 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.65 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.199 -1.576 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 179.285 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.47 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.64 62.32 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.1 -0.44 47.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.167 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.32 116.23 65.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.244 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.15 -31.6 55.76 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.812 1.674 . . . . 0.0 111.149 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.74 81.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 79.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' B' ' 30' ' ' VAL . . . -64.27 -45.3 88.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.13 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.14 85.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.27 -41.21 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.5 -33.29 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.07 -41.55 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.49 90.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.2 97.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.55 -48.57 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.51 -45.27 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.55 -48.16 81.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.53 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.4 -43.8 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 168.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.68 -41.54 82.75 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.68 -43.02 94.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 111.192 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.248 -177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' TRP . . . . . 0.402 ' O ' HG23 ' S' ' 30' ' ' VAL . 23.7 m95 -67.84 -45.07 75.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.94 77.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.58 -49.51 62.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.256 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.87 -28.83 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.225 -173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' VAL . . . . . 0.402 HG23 ' O ' ' S' ' 26' ' ' TRP . 22.1 t -64.7 -43.5 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 172.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.32 -44.03 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 174.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.77 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.265 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.06 -42.34 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.36 -57.02 8.56 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.03 73.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.219 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -59.99 -54.16 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.42 -32.75 31.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -48.12 75.1 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.14 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 111.214 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.62 -43.64 76.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.21 -36.08 83.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 53.2 t80 -65.04 -36.9 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 173.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -64.87 -35.89 82.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' PHE . . . . . 0.423 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 3.6 t80 -56.57 -49.97 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.225 172.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 73.6 p -64.91 -29.69 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.22 -49.02 60.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 172.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.2 -28.01 69.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.51 0.61 51.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.199 -1.566 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 179.277 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.785 0.326 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.46 120.48 11.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.205 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.68 62.4 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.53 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.27 116.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.14 -31.63 55.69 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.702 1.601 . . . . 0.0 111.147 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.13 -42.45 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -45.26 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.229 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.81 72.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.48 -38.03 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.37 -41.22 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.48 -33.29 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.65 -44.33 90.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.07 -44.12 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.47 81.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.49 -45.26 77.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.04 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.82 -25.55 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.4 -43.81 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 168.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 -41.55 82.83 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 171.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.62 -43.02 95.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.244 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.22 89.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.82 -45.04 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.95 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.66 -49.46 62.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.99 -28.74 34.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 30' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' K' ' 10' ' ' ALA . 22.6 t -64.72 -43.54 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 172.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.34 -44.02 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.14 -51.91 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.96 -42.3 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.38 -57.07 8.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.97 73.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 111.161 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -60.1 -54.01 51.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.6 -32.58 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.214 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.03 76.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.14 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.227 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.73 -43.52 76.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.25 -35.93 82.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.266 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 42' ' ' PHE . . . . . 0.419 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 53.3 t80 -65.08 -36.99 86.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 173.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.74 -35.94 82.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.252 173.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.94 -34.06 76.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 45' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 3.6 t80 -56.46 -50.03 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -64.85 -29.76 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.0 60.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 172.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.07 -28.19 69.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.73 51.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.497 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.275 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.727 0.299 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.59 120.43 11.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.55 62.35 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.03 -0.49 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.247 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.31 116.19 64.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.16 -31.56 55.6 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.667 1.578 . . . . 0.0 111.219 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.72 81.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.22 -42.47 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.08 96.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.23 -45.34 88.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -57.98 -50.83 72.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.41 -38.12 85.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.193 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.33 -41.16 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.64 -33.16 70.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -62.05 -44.1 97.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.205 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.22 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.64 -48.1 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.7 -25.59 60.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 -173.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.3 -43.9 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.255 168.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.62 -41.56 82.33 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.59 -43.11 94.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.339 . . . . 0.0 111.224 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.2 89.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.8 -45.0 76.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -43.84 77.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.69 -49.48 62.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.184 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.94 -28.77 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.175 -173.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' L' ' 10' ' ' ALA . 22.4 t -64.76 -43.5 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 172.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.42 -43.94 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.19 -51.79 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.03 -42.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.02 8.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.48 -44.97 73.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 95.4 m -60.09 -54.03 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.59 -32.61 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -47.96 77.0 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.53 -41.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.253 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.66 -43.53 76.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.24 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.27 -35.94 82.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 42' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 53.4 t80 -65.0 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.191 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.83 -35.86 82.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.03 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.177 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 45' ' ' PHE . . . . . 0.409 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 3.7 t80 -56.47 -50.09 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.196 172.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -64.81 -29.68 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.3 -49.1 59.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 172.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.98 -28.21 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.49 0.64 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.279 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.59 120.48 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.64 62.29 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.47 47.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.266 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.34 116.17 64.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.239 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -53.09 -31.61 55.09 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.657 1.571 . . . . 0.0 111.201 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.03 96.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 10' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' E' ' 30' ' ' VAL . . . -64.27 -45.33 88.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.192 175.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -58.1 -50.76 72.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.39 -38.25 86.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.169 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.2 98.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.48 -33.27 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.53 97.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.34 90.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.28 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.08 -44.14 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.49 81.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.231 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.48 -45.26 76.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.14 81.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.66 -25.57 60.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.245 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.34 -43.82 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 168.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.45 83.05 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.67 -43.04 94.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.339 . . . . 0.0 111.192 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.6 -46.23 89.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.217 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.71 -45.18 75.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.99 77.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.61 -49.59 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.192 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.7 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -64.69 -43.52 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.46 -43.94 98.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.23 -51.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.14 -42.2 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.42 -57.03 8.61 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.11 73.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.227 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 97.3 m -60.02 -54.03 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.52 -32.68 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -48.08 75.83 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.19 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.221 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.63 -43.57 76.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.2 -36.0 82.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 42' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 52.9 t80 -65.04 -36.93 85.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 173.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.77 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.0 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 45' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 3.7 t80 -56.53 -49.96 73.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.277 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -64.83 -29.7 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 -177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.26 -49.04 59.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.183 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.06 -28.19 69.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.255 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.66 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.23 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 179.293 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.46 120.46 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.63 -9.67 62.43 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.01 -0.5 47.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.239 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.25 65.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.21 -31.54 56.04 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.763 1.642 . . . . 0.0 111.221 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.76 82.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.189 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.23 -42.4 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.92 96.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' F' ' 30' ' ' VAL . . . -64.27 -45.3 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.06 -50.9 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.31 -38.2 86.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.37 -41.11 98.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.63 -33.22 70.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.55 97.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.43 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -61.95 -44.19 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.26 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.17 81.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 177.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.5 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.43 -43.8 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.56 82.47 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.6 -43.08 94.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.17 89.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.87 -45.04 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.98 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.52 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.97 -28.71 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 30' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' N' ' 10' ' ' ALA . 22.6 t -64.71 -43.46 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.228 172.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.43 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.25 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.98 -42.41 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.41 -57.01 8.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.41 -45.08 73.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.105 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 96.7 m -60.06 -53.99 51.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.254 -175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.56 -32.64 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.04 76.16 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.17 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.57 -43.53 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.32 -36.01 82.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 42' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 53.4 t80 -64.97 -36.92 85.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.215 173.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.92 82.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.99 -34.08 76.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 45' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 3.7 t80 -56.46 -50.1 72.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 172.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 72.9 p -64.81 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 -177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.29 -49.07 59.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.207 172.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.16 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.176 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.69 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--O 1.2 -1.537 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.294 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.49 120.43 11.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.199 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.63 62.31 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.11 -0.57 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.334 . . . . 0.0 111.129 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.22 116.2 64.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.295 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.19 -31.54 55.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.685 1.59 . . . . 0.0 111.2 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.43 79.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' G' ' 30' ' ' VAL . . . -64.33 -45.33 88.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -58.03 -50.87 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.35 -38.15 85.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.227 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.31 -41.18 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.47 -33.34 71.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -64.05 -41.6 97.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.34 90.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.03 -44.13 97.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.71 -48.4 81.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.55 -45.19 77.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.68 -48.09 82.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.46 60.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.221 -173.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.42 -43.79 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.242 168.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.72 -41.59 83.1 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 171.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.58 -43.1 94.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.18 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.1 89.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.85 -45.06 75.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -44.01 76.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.58 -49.54 62.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.01 -28.7 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.72 -43.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.43 -43.98 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.173 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.23 -51.75 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.03 -42.3 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.245 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.4 -57.06 8.57 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.05 -54.1 50.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.71 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 -177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.04 76.27 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.62 -41.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.73 -43.49 76.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.35 -35.9 82.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 53.3 t80 -65.03 -36.92 85.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 173.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -36.05 83.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.82 -34.16 77.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 3.6 t80 -56.49 -49.98 73.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.2 172.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -64.83 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.29 -49.02 59.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.07 -28.14 69.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.215 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.7 51.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.209 179.249 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.5 120.48 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.65 -9.7 62.4 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.01 -0.49 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 111.221 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.23 116.16 64.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.217 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.17 -31.65 56.12 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.789 1.659 . . . . 0.0 111.144 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.64 -36.78 81.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.214 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.3 79.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.97 97.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 10' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' D' ' 30' ' ' VAL . . . -64.33 -45.25 88.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.173 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.13 -50.86 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.39 -38.09 85.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.192 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.32 -41.18 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.5 -33.27 71.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.06 -41.62 97.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.59 -44.53 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.22 175.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.89 -44.18 97.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.49 81.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.51 -45.25 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.06 82.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.78 -25.5 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.221 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.38 -43.84 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 168.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.64 82.67 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.52 -43.13 95.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.754 0.312 . . . . 0.0 111.149 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.09 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.9 -45.08 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.89 77.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.253 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.59 -49.58 62.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.91 -28.79 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 30' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' P' ' 10' ' ' ALA . 22.5 t -64.67 -43.5 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.39 -44.03 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.2 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.02 -42.41 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.32 -57.06 8.49 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.32 -45.06 73.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 111.201 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.06 -54.06 50.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.58 -32.6 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -48.06 76.29 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.56 -41.16 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.18 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.61 -43.64 76.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.16 -36.03 82.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.273 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 42' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 52.9 t80 -64.94 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.228 173.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.9 -35.82 82.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.219 173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -34.01 76.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 3.7 t80 -56.49 -50.03 72.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 172.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 75.1 p -64.89 -29.75 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.23 -49.04 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.229 172.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.15 69.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.192 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.35 0.53 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.257 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.212 179.324 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.53 120.45 11.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.61 -9.55 62.42 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.05 -0.46 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 111.273 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.38 116.26 65.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.27 -31.5 56.47 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.642 1.561 . . . . 0.0 111.19 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.66 81.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.25 -42.44 79.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.94 96.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 10' ' ' ALA . . . . . 0.41 ' HB2' HG13 ' I' ' 30' ' ' VAL . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.211 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.07 -50.8 72.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.1 85.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.24 -41.17 98.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.264 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.53 -33.31 71.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.04 -41.58 97.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.38 90.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -62.01 -44.11 97.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.205 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.55 81.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.5 -45.17 77.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.213 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.07 82.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.72 -25.64 60.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.69 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 168.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.77 -41.53 83.32 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.02 95.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.301 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.12 89.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.79 -45.18 75.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.91 77.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.6 -49.52 62.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.93 -28.8 34.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 30' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' Q' ' 10' ' ' ALA . 22.5 t -64.73 -43.42 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.0 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.24 -51.78 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.01 -42.28 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.46 -56.95 8.75 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -44.98 73.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.211 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 97.5 m -59.98 -54.04 50.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.63 -32.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -48.11 75.55 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.54 -41.13 90.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 111.205 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.67 -43.56 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.27 -35.97 82.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.188 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 42' ' ' PHE . . . . . 0.417 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 53.3 t80 -64.98 -36.94 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 173.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.82 -35.87 82.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.01 -34.07 76.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 175.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 45' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 3.7 t80 -56.52 -49.99 73.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.255 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.82 -29.7 70.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.33 -49.07 59.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -64.99 -28.2 69.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.4 0.53 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.247 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--O 1.201 -1.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 179.317 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.53 120.43 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.71 -9.69 62.28 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.08 -0.53 46.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.795 0.331 . . . . 0.0 111.179 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.27 65.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.232 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.23 -31.45 55.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.683 1.588 . . . . 0.0 111.238 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -36.75 82.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.38 79.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.95 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.239 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.36 88.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.133 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.11 -50.76 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.35 -38.26 86.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -62.19 -41.23 98.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.47 -33.28 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.03 -41.57 97.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.254 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.49 90.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.96 -44.16 97.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.175 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.45 81.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.269 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 95.6 m -55.53 -45.23 77.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.67 -48.07 82.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.71 -25.5 60.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.43 -43.83 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 168.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.6 82.5 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.06 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.223 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.21 89.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -67.73 -45.15 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.56 -49.64 62.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.85 -28.69 34.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.284 -173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.77 -43.58 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.38 -43.91 98.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.2 -51.81 66.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -65.05 -42.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.233 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.08 8.52 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.02 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.22 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 96.8 m -59.97 -54.1 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.248 -175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.54 -32.71 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 -177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.91 -48.11 74.95 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 174.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.55 -41.16 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 0.0 111.237 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.57 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.26 -35.93 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.24 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -65.15 -36.79 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.88 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 173.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -66.88 -34.12 77.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.46 -50.01 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.236 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 73.4 p -64.83 -29.79 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.27 -49.06 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 172.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.02 -28.21 69.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.68 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--O 1.201 -1.478 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 179.327 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.792 0.33 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.53 120.42 11.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.76 -9.71 62.19 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -97.03 -0.49 47.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 111.168 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.3 116.17 64.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.27 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.23 -31.54 56.22 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.636 1.557 . . . . 0.0 111.218 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.73 81.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.18 -42.41 80.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -43.01 96.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 176.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.36 88.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.08 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 85.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.2 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.18 98.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.15 -41.51 97.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.45 90.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.94 -44.21 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 95.3 m -55.55 -45.18 77.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.248 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.15 81.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.72 -25.5 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -173.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.38 -43.83 97.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 168.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.45 82.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.71 -42.94 94.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 0.0 111.182 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.08 89.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.165 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.92 -45.12 75.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.48 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.94 -28.8 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.67 -43.43 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -44.04 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.21 -51.81 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -65.01 -42.29 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.258 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.08 8.49 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.05 73.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 0.0 111.213 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -53.98 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.53 -32.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -48.09 75.55 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.55 -41.16 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.768 0.318 . . . . 0.0 111.239 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -35.99 82.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.09 -36.83 85.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.21 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.89 -35.9 82.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.205 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.04 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.22 175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.53 -49.92 73.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 74.7 p -64.93 -29.72 70.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.181 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.24 -49.1 59.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 172.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.04 -28.2 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.46 0.7 51.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.286 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.812 0.339 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.41 120.5 11.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.59 -9.67 62.5 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.51 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.697 0.284 . . . . 0.0 111.178 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.2 64.92 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.22 -31.48 55.82 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.677 1.585 . . . . 0.0 111.237 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.47 80.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.94 96.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.227 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -45.26 88.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.194 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -58.12 -50.81 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.38 -38.1 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.249 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.14 98.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.6 -33.28 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.05 -41.54 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.204 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.44 90.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.0 -44.07 97.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.65 -48.5 81.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.219 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 95.5 m -55.48 -45.3 76.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.147 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.59 -48.1 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.7 -25.58 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.38 -43.79 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 168.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.74 -41.59 83.25 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.57 -43.05 95.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.755 0.312 . . . . 0.0 111.229 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.16 89.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.197 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.79 -45.05 75.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.248 177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.88 77.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.254 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.6 -49.54 62.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.177 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.92 -28.81 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -173.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.68 -43.51 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.4 -43.91 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 174.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.23 -51.79 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.29 94.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.02 8.59 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.46 -44.98 73.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.208 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 96.0 m -60.11 -54.03 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.59 -32.63 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.99 76.77 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.49 -41.28 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.54 -43.57 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.34 -35.94 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -64.96 -37.0 86.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.76 -35.9 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.98 -33.97 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.232 175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.59 -49.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.178 172.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -64.81 -29.77 70.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.244 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -69.28 -48.95 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 172.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.08 -28.21 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.37 0.51 51.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.193 179.343 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.48 120.39 11.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.248 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.72 -9.62 62.23 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -97.1 -0.5 46.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.27 116.25 65.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.25 -31.57 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.74 1.626 . . . . 0.0 111.194 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.74 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.257 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.2 -42.4 79.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.93 96.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.32 88.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.12 -50.78 72.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.16 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.34 -41.15 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.189 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -70.57 -33.17 70.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.238 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.14 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.237 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.34 90.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -61.97 -44.17 97.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.25 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.214 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -55.46 -45.31 76.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.62 -48.13 82.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.68 -25.53 60.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.189 -174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.44 -43.73 96.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 168.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.5 83.42 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 171.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.61 -43.02 95.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.787 0.327 . . . . 0.0 111.22 176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.13 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.264 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.78 -45.16 75.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.96 76.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.65 -49.46 62.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.86 -28.86 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.69 -43.49 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 172.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 51.1 t -62.34 -43.98 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.245 174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.23 -51.71 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.22 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 49.5 t -65.15 -42.29 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.39 -57.07 8.54 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.07 73.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.02 -54.03 50.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.225 -175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 46.1 mm -74.55 -32.64 30.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -48.0 76.93 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.58 -41.1 89.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.68 -43.51 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -36.01 82.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -64.98 -37.0 86.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.72 -35.98 82.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.08 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.42 -50.05 72.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -64.88 -29.72 70.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.28 -49.01 59.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.17 -28.11 69.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.47 0.69 51.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 179.277 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.56 120.43 11.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.74 -9.58 62.18 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.07 -0.52 47.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.22 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -86.33 116.2 64.94 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.226 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.13 -31.49 55.03 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.681 1.587 . . . . 0.0 111.233 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.79 82.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -42.4 80.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.273 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.98 96.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.34 88.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -58.05 -50.82 72.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.38 -38.2 86.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.21 -41.21 98.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.52 -33.26 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.47 90.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -62.06 -44.0 97.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 96.0 m -55.56 -45.27 77.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.57 -48.04 82.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.285 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.62 60.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -174.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 84.8 mt -64.32 -43.85 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.184 168.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.7 -41.47 82.7 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 171.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.66 -43.06 94.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 111.198 176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.05 89.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.245 -177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -67.81 -45.1 75.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.93 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.52 62.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.8 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 22.9 t -64.68 -43.49 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 172.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.44 -43.97 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -51.77 66.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.0 -42.35 94.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.174 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.37 -57.12 8.48 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.0 74.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.327 . . . . 0.0 111.29 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 97.6 m -60.02 -54.08 50.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.57 -32.64 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.222 -177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -48.0 77.07 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.61 -41.09 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.192 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.59 -43.6 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.28 -35.92 82.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.07 -36.94 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.85 -35.81 82.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 173.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.95 -34.07 76.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.51 -50.08 72.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 75.2 p -64.87 -29.65 70.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.3 -49.03 59.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 172.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -65.14 -28.12 69.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.39 0.56 51.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.213 179.299 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.48 120.44 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.75 -9.77 62.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.52 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.24 116.17 64.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.244 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.15 -31.61 55.75 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.744 1.629 . . . . 0.0 111.144 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.76 81.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.29 -42.34 79.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.202 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.06 96.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.244 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.22 -45.41 88.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.78 72.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.39 -38.21 86.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.11 98.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.59 -33.25 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.12 -41.52 97.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.45 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.248 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.72 -48.48 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -55.39 -45.25 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.289 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -58.72 -48.01 82.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.198 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.34 -43.88 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 168.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.76 -41.52 83.26 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 171.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 111.2 176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.56 -46.22 89.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.75 -45.15 75.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.95 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.68 -49.47 62.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -71.0 -28.75 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 -173.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.7 -43.46 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.201 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.44 -43.9 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.227 174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.29 -51.81 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 50.4 t -64.96 -42.29 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.269 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.44 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.42 -45.03 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 111.175 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 96.5 m -60.06 -54.01 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.238 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.56 -32.69 30.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -48.05 76.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.51 -41.15 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.757 0.313 . . . . 0.0 111.171 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.7 -43.54 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.25 -36.05 82.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.9 -36.98 86.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.91 -35.89 82.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.89 -34.03 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.263 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.56 -49.96 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -29.7 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.3 -49.01 59.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.09 -28.15 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.51 0.65 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--O 1.201 -1.494 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.259 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.84 0.352 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.54 120.46 11.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.226 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.69 -9.66 62.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -96.99 -0.56 47.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.24 116.22 64.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.1 -31.62 55.21 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.706 1.604 . . . . 0.0 111.242 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.79 -36.65 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.26 -42.44 79.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -43.0 97.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.21 -45.25 89.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.313 175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -58.14 -50.83 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.15 85.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.175 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.28 -41.22 98.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.47 -33.36 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.99 -41.57 97.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.37 90.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.21 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.05 -44.06 97.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.6 81.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.155 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 95.4 m -55.47 -45.21 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -73.69 -25.63 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 -174.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.31 -43.84 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.202 168.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.49 83.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.63 -43.07 94.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.75 0.31 . . . . 0.0 111.163 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.22 89.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.8 -45.07 75.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.83 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.213 178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.67 -49.56 62.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 t -64.62 -43.48 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.277 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.4 -43.94 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.27 -51.77 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.97 -42.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.236 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.45 -56.96 8.72 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.09 73.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.71 0.291 . . . . 0.0 111.113 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 96.9 m -60.02 -54.02 50.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.256 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 45.7 mm -74.52 -32.66 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.238 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -48.02 76.52 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.55 -41.14 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.233 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -55.62 -43.59 76.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 175.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.22 -36.04 82.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.238 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.95 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.75 -35.9 82.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.06 -33.98 76.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.123 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.51 -50.06 72.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.2 172.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 73.1 p -64.75 -29.85 70.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 48.4 t -69.22 -49.05 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 172.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.23 -27.98 69.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.48 0.56 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.536 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.235 179.282 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.344 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.44 120.41 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.68 -9.64 62.33 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.02 -0.5 47.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.26 116.25 65.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.205 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.24 -31.55 56.45 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.657 1.571 . . . . 0.0 111.227 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.81 81.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.29 79.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.261 177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.36 -45.3 88.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.09 -50.81 72.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.44 -38.12 86.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.3 -41.17 98.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.52 -33.27 70.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.12 -41.49 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.227 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.67 -44.38 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 175.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -62.04 -44.11 97.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.48 81.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -55.57 -45.21 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.6 -48.15 81.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-30 -73.74 -25.5 60.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.39 -43.85 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 168.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 -41.63 82.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 171.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -64.54 -43.07 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 111.268 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.59 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -67.9 -45.02 75.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.93 77.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 62.9 tpp -67.67 -49.55 62.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -70.86 -28.74 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -173.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.76 -43.45 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.201 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.41 -43.94 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.24 -51.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.01 -42.42 94.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.34 -57.03 8.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.44 -44.96 73.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 96.3 m -60.05 -54.08 50.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.5 -32.66 30.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -48.05 76.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.58 -41.14 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 111.22 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.53 -43.68 76.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.23 -35.99 82.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -64.99 -36.99 86.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.81 -35.85 82.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -67.0 -34.05 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.45 -50.05 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 73.3 p -64.92 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 48.2 t -69.37 -48.97 59.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 172.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.14 -28.04 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.272 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.5 0.66 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 179.254 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -62.52 120.51 11.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.6 -9.59 62.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.05 -0.52 47.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.142 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -86.21 116.19 64.88 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.21 -31.56 56.13 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.707 1.604 . . . . 0.0 111.206 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.7 81.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.248 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.27 -42.38 79.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.96 96.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.232 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.43 88.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -58.02 -50.84 72.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -61.37 -38.12 85.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -62.36 -41.11 98.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.49 -33.39 71.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -64.06 -41.51 97.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.42 90.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.177 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -61.98 -44.18 97.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.46 81.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.209 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -55.47 -45.24 76.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -58.65 -48.08 82.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -73.76 -25.46 60.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -173.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -64.48 -43.73 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.79 -41.54 83.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -64.57 -43.1 94.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.752 0.31 . . . . 0.0 111.138 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.67 -46.22 89.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -67.73 -45.18 75.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.229 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.92 76.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.224 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 62.8 tpp -67.69 -49.45 62.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -70.98 -28.74 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -173.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.67 -43.58 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 172.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.32 -43.9 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.265 174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.33 -51.74 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.03 -42.41 94.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -48.25 -57.14 8.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.3 -45.11 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 111.167 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 95.3 m -60.09 -54.01 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -74.49 -32.72 30.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 -177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -47.97 76.87 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.59 -41.15 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.157 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.6 -43.62 76.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.28 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.244 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -65.08 -36.91 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.224 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.92 -35.81 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -66.97 -34.02 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.237 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.54 -50.03 73.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 172.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 73.8 p -64.9 -29.66 70.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -69.25 -49.12 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.1 -28.07 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.45 0.69 51.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--O 1.199 -1.582 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.336 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.37 20.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.74 25.3 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.31 75.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.127 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.58 145.19 96.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.86 -28.88 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.69 1.593 . . . . 0.0 111.208 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.48 79.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.247 173.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.23 -36.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -175.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.94 99.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 174.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.13 98.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.27 -41.05 96.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.5 -42.56 92.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.32 -42.02 96.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.29 -47.35 83.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.52 92.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.193 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.89 -35.74 79.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.1 m -58.54 -43.15 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.84 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.4 -37.78 87.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.231 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.56 -42.97 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.246 174.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.88 94.71 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.8 -39.32 90.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.191 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.56 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.211 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.14 -40.13 84.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.82 72.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.64 28.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.7 -26.24 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.09 -48.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.49 -41.85 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.61 -39.4 83.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.256 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.03 -52.44 26.52 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.61 93.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.81 27.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.187 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -45.51 87.29 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.32 -39.54 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 111.191 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.73 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 176.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.6 84.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 175.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.5 -39.04 82.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.246 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.43 72.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.225 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.22 93.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 176.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.54 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 167.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.6 m -54.76 -41.87 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.05 -40.91 82.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.82 -29.26 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.94 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.227 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -178.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.59 124.45 20.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -16.76 25.54 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 111.151 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.46 145.13 97.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.227 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.86 -28.92 50.47 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.699 1.599 . . . . 0.0 111.187 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.49 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 173.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.7 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.08 99.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.27 98.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.16 -41.1 96.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.5 -42.56 91.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -41.99 96.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.205 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.28 -41.61 96.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.43 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.57 91.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.92 -35.7 78.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.216 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.58 -43.15 89.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.89 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.4 -37.85 87.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.226 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.51 -42.98 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.04 -43.74 94.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.33 90.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.6 68.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.02 -40.16 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.223 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.91 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.64 27.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.96 -48.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.233 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.67 -26.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 -172.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.23 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.51 -41.81 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.291 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.66 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.46 26.21 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.51 92.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 111.164 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.34 -55.89 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.27 -41.08 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.264 -177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.52 86.99 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.35 -39.5 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.32 -41.73 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.99 -36.57 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.52 -39.08 82.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.62 72.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.88 71.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.192 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.05 -40.92 82.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.222 178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.8 -29.21 40.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.285 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.89 35.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.24 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.593 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -178.663 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.848 0.356 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.41 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.99 -16.84 25.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.54 -35.21 75.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 111.227 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.48 145.19 97.08 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.89 -28.85 50.31 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 121.738 1.626 . . . . 0.0 111.191 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.5 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.51 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.07 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.06 96.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.47 -42.53 92.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.277 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.22 -42.11 96.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.212 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.23 -41.65 96.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.191 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.36 -47.3 84.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.52 92.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.98 -35.72 78.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.33 96.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.16 89.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.85 87.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.214 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.47 -43.08 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.174 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.89 -43.86 94.63 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.89 -39.27 90.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 111.195 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.62 68.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.206 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.18 -40.16 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.96 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.11 -43.64 28.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.99 -48.79 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.72 -26.17 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -172.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.31 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.52 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.65 -39.41 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.98 -52.44 26.27 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 174.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.63 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.217 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.03 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -45.47 87.46 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.36 -39.49 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.207 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.25 -41.82 93.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.85 -36.67 85.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.05 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.231 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.2 93.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.174 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.48 -49.71 71.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.258 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.87 -41.79 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.05 -40.99 82.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.73 -29.28 40.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.86 35.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.218 -178.694 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.51 124.44 20.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.196 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.85 -16.72 25.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.44 -35.39 75.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.73 0.3 . . . . 0.0 111.185 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.49 145.1 97.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.8 -28.86 51.05 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.658 1.572 . . . . 0.0 111.253 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.51 79.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.58 68.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.06 99.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.16 98.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.239 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.275 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.55 -42.51 91.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.01 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.62 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.57 91.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.36 96.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.232 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.61 -43.1 89.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.93 79.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.34 -37.89 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.49 -43.05 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.83 -43.93 94.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.23 90.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.237 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.55 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.14 -40.09 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.28 -43.64 27.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.96 -48.83 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.63 -26.19 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -172.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.26 -48.2 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.91 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.6 -39.36 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.05 -52.41 26.69 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.63 92.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.126 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.35 -55.79 27.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.12 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.57 86.54 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.28 -39.54 84.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.155 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.68 94.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.244 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' D' ' 44' ' ' LYS . 90.2 mt -65.09 -36.47 84.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.193 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.51 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' D' ' 41' ' ' LEU . 68.5 mttm -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.212 175.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.69 71.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.229 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.81 -41.83 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.92 82.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.164 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.89 -29.15 39.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.187 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.91 35.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -178.726 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.37 20.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.83 25.16 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.42 -35.29 75.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.715 0.293 . . . . 0.0 111.21 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.51 145.12 97.0 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.237 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.87 -28.84 50.5 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.685 1.59 . . . . 0.0 111.197 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.49 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.68 69.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.11 99.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.205 174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.09 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.34 -40.95 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 75.3 m -64.29 -42.07 96.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.43 -47.32 84.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.5 92.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.217 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.94 -35.68 78.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.3 96.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.6 -43.22 89.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.24 -48.96 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.33 -37.9 87.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.43 -43.08 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 174.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.74 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.97 -39.22 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.746 0.308 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.66 68.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.03 -40.19 84.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.87 -37.9 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.243 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.72 27.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.188 -173.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.33 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -172.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.22 -48.08 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.66 -41.81 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.51 25.87 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.181 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 85.0 m -55.32 -55.83 27.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.18 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.52 86.82 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.25 -39.55 84.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.35 -41.72 94.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' E' ' 44' ' ' LYS . 89.8 mt -65.01 -36.47 84.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.222 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.99 82.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.55 72.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' E' ' 41' ' ' LEU . 68.5 mttm -64.33 -39.25 93.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.214 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 167.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.8 -41.84 71.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.223 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.04 -40.93 82.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.91 -29.2 39.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.85 35.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -178.641 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.49 124.34 20.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.79 25.17 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.52 -35.25 75.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.53 145.08 96.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.78 -28.94 51.17 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.724 1.616 . . . . 0.0 111.19 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.41 79.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.66 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.01 99.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 174.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.15 98.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.08 96.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.233 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.48 -42.54 92.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.269 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.26 -42.04 96.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.69 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.34 84.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.162 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.69 78.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.32 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.61 -43.17 89.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.86 79.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.81 87.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.47 -43.11 96.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.89 94.69 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.29 90.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.6 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.1 -40.12 84.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.85 -37.92 71.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.25 -43.62 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.03 -48.74 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.22 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.07 -48.29 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.9 94.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.58 -39.45 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.46 26.01 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 92.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.743 0.306 . . . . 0.0 111.193 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.35 -55.78 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.14 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.58 86.54 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.28 -39.53 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.76 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.245 176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.97 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.59 -38.95 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.58 -34.45 72.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.26 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.69 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.259 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t -57.99 -40.95 81.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.277 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.93 -29.15 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.225 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.96 35.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.554 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -178.661 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.57 124.35 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.89 25.11 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.53 -35.18 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 111.193 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.58 145.15 96.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.87 -28.9 50.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.52 79.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.54 68.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -175.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.26 98.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.2 -41.06 96.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.233 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.48 -42.52 92.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.23 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.37 -41.95 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.53 96.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.47 -47.25 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.53 92.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.78 79.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.39 96.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.65 -43.05 89.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.43 -48.87 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.84 87.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.228 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.02 -43.84 94.87 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.9 -39.21 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -51.59 69.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.09 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.92 -37.82 72.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.228 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.71 27.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.84 -48.87 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.73 -26.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.09 -48.26 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.55 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 44.0 t -66.57 -39.49 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 174.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 84.4 m -55.43 -55.77 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.33 -41.11 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.286 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.58 86.48 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.28 -39.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 111.209 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.65 94.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' G' ' 44' ' ' LYS . 89.6 mt -65.0 -36.66 85.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 175.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.45 -39.05 82.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 171.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' G' ' 41' ' ' LEU . 68.5 mttm -64.34 -39.23 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.49 -49.71 71.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.84 -41.82 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.211 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.95 82.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.81 -29.22 40.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.271 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.91 35.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.6 124.4 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.81 25.31 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.39 -35.34 75.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.804 0.335 . . . . 0.0 111.224 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.44 145.15 97.1 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.208 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.9 -28.88 50.17 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.684 1.59 . . . . 0.0 111.201 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.53 79.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 173.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.25 -36.67 69.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.79 -43.1 99.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.19 98.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.1 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.194 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.46 91.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.19 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.3 -42.07 96.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.168 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.25 -41.61 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.34 84.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.58 91.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.94 -35.71 78.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.36 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -58.57 -43.14 89.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.88 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.42 -37.86 87.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.202 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.33 -43.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.81 94.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.95 -39.22 90.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.183 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.64 68.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.78 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.247 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.35 -43.56 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.187 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.85 -48.94 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.2 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.253 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.2 -48.25 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.51 -41.8 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.64 -39.51 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 175.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.53 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.53 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.206 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.41 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.44 -41.11 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.55 86.94 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.27 -41.77 94.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.93 -36.63 85.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.56 -34.48 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.42 -39.12 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.21 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.7 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.18 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.81 -41.86 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.174 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.02 -41.01 82.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.88 -29.09 39.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.34 -19.87 35.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 -178.71 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.773 0.32 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.58 124.42 20.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.91 -16.75 25.45 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 -35.35 75.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.46 145.21 97.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -65.95 -28.87 49.79 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.702 1.601 . . . . 0.0 111.168 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.39 79.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 174.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.39 -36.6 68.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.07 98.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 175.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.31 -41.02 96.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.52 -42.47 91.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.27 -42.11 96.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.65 96.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.37 83.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.5 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -68.04 -35.7 78.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 97.1 m -58.58 -43.12 89.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.212 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.79 80.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.41 -37.87 87.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.48 -43.09 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.194 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.85 -43.92 94.53 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -65.86 -39.3 90.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.17 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.68 68.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.09 -40.09 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.04 -37.74 72.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.32 -43.61 27.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.92 -48.84 86.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -173.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.62 -26.25 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -172.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.21 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.52 -41.87 94.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.65 -39.37 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.96 -52.47 26.1 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.52 93.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.235 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 85.9 m -55.34 -55.83 27.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.4 -41.09 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.56 86.74 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.29 -39.56 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 111.215 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 41' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' I' ' 44' ' ' LYS . 89.9 mt -64.93 -36.56 84.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 175.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -38.88 82.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.258 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.57 -34.51 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 44' ' ' LYS . . . . . 0.405 ' HD2' HD23 ' I' ' 41' ' ' LEU . 68.5 mttm -64.38 -39.17 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.61 -49.63 72.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.205 167.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.8 -41.85 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.0 -40.95 82.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.92 35.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.2 -1.527 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -178.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.55 124.35 20.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.78 25.2 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.43 -35.33 75.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.345 . . . . 0.0 111.204 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.47 145.17 97.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.9 -28.86 50.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.671 1.581 . . . . 0.0 111.22 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.42 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 173.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.28 -36.67 69.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.266 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.19 98.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.213 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.25 -41.06 96.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.5 -42.57 91.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.23 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.31 -47.33 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.231 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.62 91.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.91 -35.71 78.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.27 96.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.234 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.6 -43.17 89.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.89 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.253 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.56 -42.99 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.23 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.78 94.82 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.9 -39.21 90.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.251 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.56 69.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.07 -40.2 84.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.85 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.2 -43.65 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.87 86.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.73 -26.16 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -172.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.228 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.209 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.74 -39.36 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.213 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.86 -52.51 25.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.53 93.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.78 27.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.2 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.5 86.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.32 -39.56 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.79 94.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.88 -36.6 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.59 -39.0 82.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 171.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.5 72.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.24 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.291 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.5 -49.72 71.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.253 167.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 87.4 m -54.74 -41.78 70.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.277 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.09 -40.95 82.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.94 -29.07 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -178.606 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.357 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.55 124.39 20.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.98 -16.88 25.21 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.44 -35.33 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.5 145.13 97.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.86 -28.85 50.56 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.669 1.579 . . . . 0.0 111.206 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.44 79.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.28 -36.61 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.259 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.03 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.08 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 -178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.46 -42.51 92.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.29 -42.1 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.232 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.35 84.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.186 177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.52 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.9 -35.66 78.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.42 96.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 97.9 m -58.49 -43.18 88.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.41 -37.74 86.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.285 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.59 -42.94 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.224 174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.72 95.0 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.92 -39.36 90.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 111.194 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.56 69.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.06 -40.13 84.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.228 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.01 -37.86 72.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.69 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.8 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.69 -26.25 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -172.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.09 -48.27 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.54 -41.77 93.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.62 -39.5 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.42 26.13 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 174.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.57 93.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 111.226 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.39 -55.81 27.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.228 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.13 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.57 86.49 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.23 -39.56 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.96 -36.53 84.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.233 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.56 -39.03 82.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 171.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.58 -34.45 72.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.205 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.35 -39.29 93.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.61 72.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 167.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.8 -41.92 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.01 -40.92 81.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.277 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.22 -19.91 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.56 124.39 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.8 25.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.45 -35.22 75.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 111.26 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.55 145.11 96.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.73 -28.98 51.52 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.7 1.6 . . . . 0.0 111.265 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.7 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.09 99.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 174.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.18 98.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.21 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.57 91.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -41.96 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.272 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.32 -41.58 96.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.42 -47.3 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.49 92.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.88 -35.73 79.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.258 -178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.35 96.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.59 -43.18 89.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.89 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.75 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.55 -43.08 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.83 94.68 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.87 -39.21 90.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.278 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.87 -51.67 68.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.09 -40.14 84.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.82 71.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.64 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.243 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.99 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.26 28.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -172.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.16 -48.2 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.194 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.58 -41.79 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.65 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.38 26.13 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.57 92.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.83 0.347 . . . . 0.0 111.192 177.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.38 -55.85 26.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.29 -41.07 83.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.6 86.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.58 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.166 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.79 94.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' L' ' 44' ' ' LYS . 89.8 mt -64.91 -36.66 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 42' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.43 -39.09 82.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.262 171.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.45 -34.59 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' L' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 176.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.58 -49.63 72.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.211 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.87 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.11 -40.9 82.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.194 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.89 -29.19 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.84 35.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.199 -1.601 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -178.707 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.58 124.48 20.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.87 -16.79 25.51 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.29 75.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.317 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.12 97.03 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -65.86 -28.85 50.57 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.689 1.593 . . . . 0.0 111.258 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.49 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 173.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.59 68.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.186 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.07 99.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.28 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 175.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.14 96.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.214 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.56 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.25 -42.08 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.238 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 14' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.19 -41.65 96.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.3 84.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.45 92.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.71 78.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.31 96.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.55 -43.2 89.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.33 -48.92 79.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.76 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.259 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.61 -43.03 96.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.81 94.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.4 90.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.71 68.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.05 -40.09 84.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.94 72.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.16 -43.71 27.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 29.1 m -70.66 -26.22 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -172.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.19 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.59 -39.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.1 -52.41 26.95 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.6 93.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.307 . . . . 0.0 111.216 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.34 -55.76 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.03 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.59 86.74 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.63 84.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.346 . . . . 0.0 111.192 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.22 -41.81 93.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.181 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' M' ' 44' ' ' LYS . 89.7 mt -65.06 -36.44 84.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.227 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.58 -39.03 82.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 171.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.63 -34.47 72.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' M' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.26 93.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.207 175.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.52 -49.64 72.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 167.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.82 -41.88 71.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.06 -40.87 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.89 -29.23 39.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.9 35.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -178.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.871 0.367 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.59 124.33 20.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.08 -16.81 24.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.51 -35.28 75.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.758 0.313 . . . . 0.0 111.158 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.46 145.14 97.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 175.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.88 -28.84 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.682 1.588 . . . . 0.0 111.213 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.5 79.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.71 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.12 99.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.28 98.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.04 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.48 91.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.23 -42.1 96.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.19 -41.66 96.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.37 -47.36 84.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.54 91.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 174.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.31 -48.89 79.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -62.4 -37.82 87.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 174.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.01 -43.72 94.92 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.92 -39.23 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 111.203 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.95 -51.59 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 176.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.07 -40.07 84.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.205 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -37.81 72.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.21 -43.71 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.03 -48.7 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.69 -26.25 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 -172.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.53 -41.85 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.58 -39.45 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 175.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.5 25.8 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.58 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 111.247 177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.33 -55.85 26.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -40.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.62 86.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.2 -39.55 84.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.266 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.4 -41.79 94.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.0 82.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 171.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.53 -34.46 72.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.43 -39.25 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 175.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.55 -49.67 72.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.209 167.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.76 -41.83 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.17 -40.93 82.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.85 -29.19 40.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.83 35.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.216 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 -178.641 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.66 124.45 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.9 -16.74 25.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.51 -35.3 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.41 145.14 97.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -65.84 -28.97 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.719 1.613 . . . . 0.0 111.144 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.213 174.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.62 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.221 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.04 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.22 98.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.17 -41.11 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.55 91.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.19 -42.07 96.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.28 -41.61 96.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.32 -47.47 83.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.61 91.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.91 -35.79 79.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.28 96.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 96.7 m -58.64 -43.1 89.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.92 79.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.44 -37.71 86.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.215 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -43.07 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.76 94.8 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.208 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.68 68.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.01 -40.16 84.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.65 27.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.88 -48.87 86.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.61 -26.31 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.1 -48.21 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.6 -39.45 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.55 25.58 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.59 93.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.42 -55.88 26.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.24 -41.19 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.61 86.36 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 111.219 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.37 -41.75 94.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 176.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.02 -36.5 84.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.72 -38.86 82.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 171.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.65 -34.44 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.71 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.14 -40.91 82.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.79 -29.24 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.89 35.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.528 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -178.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.66 124.44 20.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.72 25.3 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.48 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.199 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.51 145.14 97.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.81 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.72 1.614 . . . . 0.0 111.191 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.44 79.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.42 -36.51 68.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.182 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.99 99.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.2 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.22 -41.11 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.49 -42.55 92.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.31 -42.03 96.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.206 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.27 -41.51 96.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.48 -47.31 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.43 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.198 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.95 -35.72 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.34 96.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.239 177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -58.55 -43.15 89.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.265 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.36 -48.91 79.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.44 -37.75 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.58 -42.98 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.227 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.85 94.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.85 -39.3 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 0.0 111.257 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -51.7 68.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -58.99 -40.25 84.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.212 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.88 71.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.24 -43.67 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.92 -48.86 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.233 -173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.6 -26.24 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.21 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.56 -41.78 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.242 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.66 -39.52 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.167 175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.93 -52.36 26.34 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.54 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.33 -55.88 26.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.08 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.245 -177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.62 86.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.24 -39.57 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 111.248 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.3 -41.81 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.204 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.9 -36.57 84.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.54 -38.99 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.64 -34.42 72.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.16 93.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 176.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 45' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.53 -49.67 72.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.185 167.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -54.79 -41.85 71.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.25 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 46.6 t -58.06 -40.94 82.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.29 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.84 -29.19 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.87 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -178.655 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.53 124.38 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.03 -16.78 25.12 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.5 -35.26 75.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.785 0.326 . . . . 0.0 111.196 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.56 145.14 96.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -65.75 -28.98 51.33 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.706 1.604 . . . . 0.0 111.241 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.39 79.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.34 -36.66 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.97 99.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.28 98.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.03 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.55 -42.57 91.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.03 96.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.195 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.59 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.28 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.267 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.5 92.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.68 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.47 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.54 -43.19 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.39 -37.81 87.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.196 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.49 -43.13 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.81 94.69 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.82 -39.32 90.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.224 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -51.54 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.185 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.26 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.93 -37.9 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.15 -43.65 28.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.229 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.04 -48.78 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.57 -26.33 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.225 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.17 -48.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.49 -41.9 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.246 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.55 -39.52 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.43 25.81 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.49 92.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 111.179 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 85.5 m -55.4 -55.77 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.249 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.42 -41.03 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.52 87.03 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.24 -39.61 84.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.798 0.333 . . . . 0.0 111.188 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.25 -41.79 93.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 41' ' ' LEU . . . . . 0.404 HD23 ' HD2' ' Q' ' 44' ' ' LYS . 89.5 mt -64.97 -36.64 85.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 175.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.52 -39.06 82.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.47 72.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 44' ' ' LYS . . . . . 0.404 ' HD2' HD23 ' Q' ' 41' ' ' LEU . 68.5 mttm -64.4 -39.27 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 176.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.53 -49.64 72.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.89 -41.83 71.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.06 -40.89 82.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -29.21 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.193 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.28 -19.9 35.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.793 0.33 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.63 124.41 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.75 25.36 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.49 -35.37 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 111.163 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.38 145.1 97.14 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.82 -28.99 50.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.615 . . . . 0.0 111.168 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.38 -45.49 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.21 -36.69 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 174.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.18 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.17 -41.12 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.205 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.57 -42.54 91.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.22 -41.6 96.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.34 -47.3 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.26 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.52 92.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.92 -35.67 78.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.47 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.59 -43.02 89.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.25 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.87 79.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.204 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.47 -37.79 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.07 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.84 94.72 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.37 90.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -51.65 68.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.04 -40.14 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.91 72.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.15 -43.75 27.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.91 -48.78 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.66 -26.28 28.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 -172.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.1 -48.19 29.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.266 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 39.9 mm -63.61 -41.79 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.63 -39.49 83.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.94 -52.42 26.17 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.6 93.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 111.182 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.28 -55.88 26.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.07 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.45 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.28 -39.57 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 111.155 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.77 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' R' ' 44' ' ' LYS . 89.8 mt -65.01 -36.58 84.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.06 82.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.44 72.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 44' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' R' ' 41' ' ' LEU . 68.5 mttm -64.42 -39.26 93.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' R' R ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.56 -49.65 72.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 167.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.79 -41.87 71.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.03 -41.0 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.85 -29.19 40.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.27 -19.91 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 -178.672 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.806 0.336 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.6 124.37 20.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.01 -16.78 25.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.51 -35.31 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.52 145.1 96.97 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -65.78 -28.88 51.18 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.726 1.617 . . . . 0.0 111.248 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.52 79.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.64 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.01 99.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.225 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.24 -41.09 96.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.56 -42.45 91.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.26 -42.1 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.2 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.39 -47.39 84.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.62 91.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.96 -35.69 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 -178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.6 -43.09 89.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.206 178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.39 -37.9 87.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.05 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.235 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.91 -43.79 94.7 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.29 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.32 . . . . 0.0 111.169 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.79 -51.63 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -59.07 -40.17 84.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.88 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.66 27.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.97 -48.79 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.68 -26.22 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -172.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.25 -48.18 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.6 -41.81 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.58 -39.46 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.217 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.53 25.64 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.51 93.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.804 0.335 . . . . 0.0 111.257 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.38 -55.9 26.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.32 -41.15 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.61 86.27 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.25 -39.55 84.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.192 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.29 -41.76 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.219 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.1 -36.43 84.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 42' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.45 72.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.29 93.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 45' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.56 -49.64 72.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.192 167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.78 -41.83 71.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.08 -40.94 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.19 40.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.166 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.86 35.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.2 -1.548 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -178.646 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.78 0.324 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.65 124.4 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.229 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.82 25.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.2 75.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.26 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.59 145.2 96.94 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.87 -28.91 50.41 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 121.688 1.592 . . . . 0.0 111.201 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.42 -45.46 79.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.29 -36.63 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.02 99.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.24 98.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.22 -41.05 96.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.52 -42.5 91.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.241 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.31 -41.97 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.58 96.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.219 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.237 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.43 96.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 97.8 m -58.5 -43.16 88.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 174.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.47 -48.77 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.46 -37.75 87.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.22 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.5 -43.08 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.234 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.8 94.78 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -65.83 -39.32 90.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.213 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.65 68.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -58.99 -40.21 84.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.216 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.77 72.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.23 -43.67 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 29' ' ' VAL . . . . . . . . . . . . . 44.6 t -59.98 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 -172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.61 -26.28 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.14 -48.17 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.236 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.57 -39.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.196 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.44 25.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.62 92.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.26 -55.9 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.1 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -45.56 86.38 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.34 -39.53 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 111.171 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.81 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.196 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.49 -39.07 82.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.217 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.49 72.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.4 -39.23 93.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.59 -49.67 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.161 167.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.74 -41.88 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.13 -40.82 82.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.95 -29.15 39.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.81 35.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.679 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.833 0.349 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.33 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.07 -16.81 25.02 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.49 -35.28 75.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 111.204 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.48 145.16 97.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -65.85 -28.93 50.61 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.741 1.627 . . . . 0.0 111.174 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.51 79.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.219 173.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.24 -36.7 69.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.223 -175.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.21 99.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.26 98.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.219 175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.62 92.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.229 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.17 -42.1 96.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.25 -41.58 96.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.239 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.43 -47.34 84.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.52 92.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.93 -35.67 78.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.25 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.45 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.51 -43.12 89.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.38 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -62.32 -37.85 87.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.48 -43.07 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.82 94.79 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.86 -39.31 90.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 0.0 111.196 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.57 69.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.12 84.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -37.83 72.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.24 -43.68 27.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.91 -48.83 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.189 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.67 -26.19 27.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.181 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.24 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.57 -41.75 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.241 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.66 -39.47 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.45 26.1 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.69 93.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 84.3 m -55.38 -55.71 28.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.12 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.157 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -45.62 86.46 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.24 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.77 94.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 176.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' U' ' 44' ' ' LYS . 89.3 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 175.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.63 -39.04 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.188 171.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.48 -34.58 72.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' U' ' 41' ' ' LEU . 68.5 mttm -64.37 -39.25 93.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 176.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.43 -49.69 71.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.267 167.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -54.82 -41.81 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.01 -41.01 82.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.84 -29.21 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.29 -19.9 35.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -178.683 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.851 0.357 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.51 124.28 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.243 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.78 25.15 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.54 -35.29 75.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.47 145.15 97.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.84 -28.88 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.704 1.603 . . . . 0.0 111.198 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.5 79.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 173.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.63 68.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.1 99.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.13 98.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.07 96.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.51 -42.48 92.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 75.5 m -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.2 -41.58 97.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.278 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.45 -47.31 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.48 92.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.97 -35.68 78.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.33 96.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -58.67 -43.14 89.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.8 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.38 -37.95 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -176.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.45 -43.12 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.85 94.72 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.86 -39.27 90.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.6 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.04 -40.19 84.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.87 72.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.17 -43.63 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.202 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.94 -48.83 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.71 -26.28 27.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -172.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.21 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.59 -41.84 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.6 -39.47 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.84 -52.48 25.52 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.52 92.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 84.9 m -55.44 -55.75 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.205 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.07 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -45.57 86.76 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -39.54 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.182 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.26 -41.79 93.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 41' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' V' ' 44' ' ' LYS . 89.7 mt -64.95 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' V' V ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.57 -38.99 82.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 171.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.61 -34.47 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 44' ' ' LYS . . . . . 0.402 ' HD2' HD23 ' V' ' 41' ' ' LEU . 68.5 mttm -64.35 -39.28 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' V' V ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.58 -49.58 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 167.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.86 -41.79 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.242 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.95 82.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.238 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.82 -29.27 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.92 35.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.201 -1.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.355 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.65 124.44 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.91 -16.74 25.44 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.246 -0.741 . . . . 0.0 111.246 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.47 -35.35 75.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 111.18 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.4 145.18 97.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -65.93 -28.93 49.95 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.7 1.6 . . . . 0.0 111.18 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.46 80.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 173.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.36 -36.55 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.04 99.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.226 173.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.21 98.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.13 -41.16 96.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.49 -42.52 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.06 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.29 -41.56 96.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.36 83.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.51 92.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.72 78.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 96.8 m -58.6 -43.15 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -49.0 79.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.42 -37.77 87.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.225 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.55 -43.06 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.84 94.75 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.8 -39.3 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.55 69.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.204 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.22 -40.09 84.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.81 72.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.23 -43.68 27.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.256 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.9 -48.8 86.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.286 -173.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.22 27.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.249 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.18 -48.2 28.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.59 -41.79 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.64 -39.4 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 175.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.38 26.66 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.64 93.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.207 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 85.2 m -55.25 -55.92 25.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.03 83.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -45.68 86.03 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.51 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.34 -41.74 94.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.178 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.01 -36.55 84.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 175.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.61 -38.97 82.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 171.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.42 72.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.47 -39.21 93.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.54 -49.66 72.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 167.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.76 -41.88 70.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.243 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.08 -40.91 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.89 -29.24 39.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.26 -19.84 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.297 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 -178.679 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.64 124.42 20.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.97 -16.79 25.27 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.47 -35.35 75.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.143 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.16 97.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -65.9 -28.89 50.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.714 1.609 . . . . 0.0 111.167 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.41 -45.53 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.26 -36.68 69.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.266 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.15 98.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.11 96.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.04 96.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.233 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.28 -41.58 96.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.39 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.72 -45.51 91.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.96 -35.76 78.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 -178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.31 96.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 98.1 m -58.53 -43.18 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.218 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.34 -48.82 80.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.55 -37.76 87.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -64.51 -43.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.213 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.83 94.75 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.21 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.59 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.13 -40.16 84.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.81 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.77 27.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.179 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.85 -48.88 85.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.2 -173.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.26 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.249 -172.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.16 -48.16 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.256 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.56 -41.84 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.67 -39.43 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.45 25.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 174.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.25 -42.61 93.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.814 0.34 . . . . 0.0 111.214 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -55.33 -55.83 27.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.34 -41.12 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.58 86.79 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.26 -39.53 84.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.199 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.74 94.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.04 -36.5 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 175.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.56 -39.04 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.241 171.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.49 -34.55 72.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.39 -39.18 93.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.62 -49.66 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 167.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.8 -41.82 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.16 -40.85 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.87 -29.22 39.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.78 35.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.2 -1.513 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 -178.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.709 0.29 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.64 124.4 20.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.99 -16.78 25.22 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.52 -35.29 75.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.12 97.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.213 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.93 -28.78 50.02 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.666 1.577 . . . . 0.0 111.16 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.48 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.64 68.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.2 99.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.14 98.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -61.28 -40.99 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.62 -42.46 91.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.157 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.28 -41.6 96.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.32 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -45.5 92.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.226 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -67.89 -35.73 79.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.38 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 98.5 m -58.61 -43.16 89.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.29 -48.87 79.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.46 -37.81 87.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.51 -43.0 96.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 174.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.92 -43.86 94.69 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.85 -39.35 90.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 111.2 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.61 68.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.07 -40.13 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.222 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.84 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.19 -43.64 27.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.97 -48.81 86.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -173.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.69 -26.25 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.13 -48.21 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.61 -41.8 93.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.61 -39.46 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.99 -52.43 26.38 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.52 92.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 83.7 m -55.41 -55.83 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -45.59 86.56 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -66.26 -39.57 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 111.189 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.3 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.02 -36.5 84.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.55 -39.1 82.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 171.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.52 -34.54 72.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.36 -39.26 93.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.51 -49.65 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 167.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 87.2 m -54.85 -41.77 71.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.273 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.08 -40.93 82.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.84 -29.26 40.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.81 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 -178.689 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.75 0.309 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.63 124.38 20.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.18 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.8 25.2 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.45 -35.45 75.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.45 145.18 97.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.92 -28.87 50.07 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.687 1.591 . . . . 0.0 111.193 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.58 79.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.27 -36.64 69.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.1 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 174.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.37 -41.08 98.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.256 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.31 -41.03 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.184 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.45 91.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.3 -42.08 96.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.63 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.33 -47.32 84.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.58 91.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.86 -35.82 79.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.32 96.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 98.3 m -58.56 -43.21 89.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.87 79.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.35 -37.88 87.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.21 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.5 -43.02 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.87 94.77 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.89 -39.32 90.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.184 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.54 69.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.296 175.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -59.14 -40.14 84.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.218 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.22 -43.66 27.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.94 -48.81 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 -172.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.66 -26.27 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.21 -172.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.05 -48.31 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.51 -41.88 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -66.7 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.82 -52.55 25.19 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -42.64 93.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 84.6 m -55.45 -55.71 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.196 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.47 -41.09 83.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.54 86.48 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.31 -39.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.785 0.326 . . . . 0.0 111.205 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.24 -41.8 93.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 41' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' Z' ' 44' ' ' LYS . 89.6 mt -64.98 -36.53 84.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.25 175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Z' Z ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.46 -39.09 82.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 171.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.54 72.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 44' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' Z' ' 41' ' ' LEU . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Z' Z ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.54 -49.62 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.194 167.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.91 -41.75 71.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.85 82.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.97 -29.11 39.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.25 -20.01 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.236 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -178.649 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.812 0.339 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.61 124.46 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.74 25.42 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.43 -35.42 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.835 0.35 . . . . 0.0 111.204 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.4 145.11 97.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.84 -28.92 50.68 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.707 1.604 . . . . 0.0 111.177 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.45 79.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.199 173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.68 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.01 99.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.232 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.3 -41.0 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.59 -42.49 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.29 -42.09 96.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.164 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.18 -41.63 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.235 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.29 84.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.43 92.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.99 -35.66 78.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.35 96.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.172 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -58.57 -43.2 89.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.86 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -62.4 -37.78 87.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.49 -43.09 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.96 -43.84 94.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.23 90.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 0.0 111.27 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.66 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -59.05 -40.17 84.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.85 72.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.18 -43.66 27.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.96 -48.87 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -173.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 28.8 m -70.65 -26.21 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.2 -48.13 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.221 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.61 -41.84 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.57 -39.58 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.87 -52.44 25.79 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.56 92.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 84.2 m -55.35 -55.77 27.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.213 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.39 -41.09 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.202 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.02 -45.55 86.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.732 0.301 . . . . 0.0 111.194 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.35 -41.67 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.281 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.98 -36.56 84.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.55 -38.98 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.222 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.67 -34.47 72.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.36 93.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.5 -49.67 71.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 167.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.84 -41.77 71.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.15 -40.91 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.84 -29.23 40.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.33 -19.84 35.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.201 -1.486 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -178.741 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.763 0.316 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.6 124.41 20.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.89 -16.72 25.5 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.52 -35.29 75.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.721 0.295 . . . . 0.0 111.195 178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.53 145.1 96.96 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.85 -28.87 50.65 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.746 1.631 . . . . 0.0 111.161 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.49 79.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 174.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.55 68.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.02 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.227 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.16 98.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.24 -41.06 96.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.58 -42.4 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.38 -42.03 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.3 -41.53 96.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.34 -47.4 83.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.54 91.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.93 -35.72 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -41.45 96.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 96.4 m -58.59 -43.07 89.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 175.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.39 -48.9 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.5 -37.71 87.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.51 -43.07 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -43.89 94.6 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -65.87 -39.26 90.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.209 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.63 68.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.06 -40.1 84.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.94 -37.84 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.226 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.2 -43.64 27.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.9 -48.84 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.67 -26.2 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.185 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -76.22 -48.19 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.56 -41.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.65 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.92 -52.47 25.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.6 93.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 86.1 m -55.33 -55.76 27.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.41 -41.06 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -45.56 86.99 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 85.3 mt -66.23 -39.53 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.328 . . . . 0.0 111.239 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.2 -41.9 93.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.216 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.88 -36.63 84.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.187 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.51 -39.02 82.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 171.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.6 -34.44 72.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.193 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.45 -39.18 93.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.58 -49.66 72.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 167.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.79 -41.87 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.17 -40.9 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.88 -29.1 39.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.36 -19.85 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.706 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.55 124.35 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.252 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.93 -16.66 25.44 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.55 -35.27 75.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.239 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.49 145.1 97.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.242 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -65.86 -28.81 50.55 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.709 1.606 . . . . 0.0 111.198 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.48 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 173.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.35 -36.61 68.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.225 -175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.16 98.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.31 -41.04 96.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.154 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.54 -42.46 91.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.27 -42.09 96.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.27 -41.63 96.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.31 -47.38 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.77 -45.53 91.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.97 -35.67 78.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.36 96.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.57 -43.17 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.4 -48.8 80.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.37 -37.81 87.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 -176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.47 -43.15 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.75 94.78 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.91 -39.32 90.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.167 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.62 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.01 -40.22 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.83 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.26 -43.68 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.164 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -59.98 -48.75 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.63 -26.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -172.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -76.12 -48.25 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.47 -41.95 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.23 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 44.8 t -66.54 -39.4 83.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.256 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.48 26.11 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 111.219 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -55.28 -55.86 26.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.35 -41.08 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.6 86.16 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.33 -39.52 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.181 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.31 -41.8 94.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.23 176.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.95 -36.53 84.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.62 -39.02 82.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 171.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.47 -34.54 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.37 -39.31 93.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.5 -49.69 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.213 167.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 86.5 m -54.79 -41.89 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.204 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.09 -40.87 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.85 -29.13 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.265 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.199 -1.564 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -178.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.57 124.36 20.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.02 -16.81 25.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.48 -35.26 75.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 111.161 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -68.51 145.12 97.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -65.84 -28.84 50.71 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.663 1.575 . . . . 0.0 111.278 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.53 79.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.33 -36.66 68.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.166 -175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.08 99.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.25 98.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.14 -41.11 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -65.57 -42.47 91.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.28 -42.08 96.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.15 177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.23 -41.62 96.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.38 -47.35 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.52 92.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.228 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.9 -35.74 79.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.38 96.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.55 -43.19 89.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.32 -48.91 79.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -62.43 -37.8 87.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.53 -43.02 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.97 -43.8 94.8 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.93 -39.21 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.59 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.03 -40.16 84.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -37.81 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.22 -43.68 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.94 -48.88 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.6 -26.23 28.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.24 -172.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.1 -48.21 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.64 -41.82 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.61 -39.41 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.247 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.44 26.44 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.31 -42.55 92.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.774 0.321 . . . . 0.0 111.172 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 84.0 m -55.36 -55.84 26.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -41.06 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.94 -45.67 86.0 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.21 -39.57 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 111.244 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -60.33 -41.72 94.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.96 -36.54 84.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -59.67 -38.89 82.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 171.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.66 -34.39 71.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.267 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.32 -39.27 93.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.61 -49.64 72.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 167.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 86.8 m -54.78 -41.82 71.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.08 -40.97 82.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.86 -29.12 39.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.3 -19.89 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.199 -1.582 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.661 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.769 0.319 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.58 124.4 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.211 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.93 -16.75 25.41 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.51 -35.26 75.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.48 145.16 97.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.88 -28.95 50.33 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.724 1.616 . . . . 0.0 111.165 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.36 -45.45 80.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.37 -36.61 68.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 -43.06 99.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.208 175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -61.2 -41.12 96.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.46 -42.59 92.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.24 -42.04 96.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.25 -41.59 96.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.41 -47.32 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.6 91.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.81 -35.78 79.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.222 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.39 96.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.52 -43.2 89.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.28 -48.92 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.184 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.45 -37.77 87.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 -176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.49 -43.02 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.276 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.99 -43.88 94.81 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 175.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.76 -39.33 90.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.66 68.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 175.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 34.9 m95 -59.02 -40.12 84.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.89 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.9 mmt -78.08 -43.67 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -59.93 -48.89 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 -173.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.57 -26.27 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.14 -48.2 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.51 -41.85 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.217 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.64 -39.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 175.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.97 -52.4 26.38 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.53 92.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.815 0.341 . . . . 0.0 111.182 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 86.4 m -55.35 -55.85 26.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.207 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.31 -41.13 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.23 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -45.62 86.28 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.27 -39.56 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 0.0 111.18 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.33 -41.71 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.99 -36.61 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.46 -39.09 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.225 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.56 -34.47 72.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.25 93.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.191 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -55.52 -49.67 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.209 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 86.6 m -54.83 -41.91 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -57.95 -41.05 82.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.78 -29.22 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.24 -19.9 35.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.255 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 -178.742 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.782 0.325 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -60.56 124.41 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.201 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.75 25.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.58 -35.2 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 111.24 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.52 145.14 97.0 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.93 -28.79 50.02 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.716 1.611 . . . . 0.0 111.159 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.46 79.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -72.29 -36.67 69.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.98 99.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.197 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.16 98.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.29 -41.06 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.206 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.45 -42.56 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.256 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -42.09 96.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.194 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.26 -41.62 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.214 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.38 -47.24 84.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.59 91.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 84.5 p -67.89 -35.72 78.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.01 -41.47 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -58.57 -43.2 89.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.183 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.35 -48.81 80.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -62.41 -37.87 87.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 -176.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 90.5 mt -64.41 -43.14 96.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 174.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.86 -43.87 94.58 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.88 -39.27 90.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.2 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.59 68.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.12 -40.17 84.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.81 72.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.65 27.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.94 -48.87 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.59 -26.29 28.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 -172.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.19 -48.16 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.62 -41.75 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.217 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.66 -39.46 83.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.18 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.95 -52.44 26.16 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.53 93.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.725 0.298 . . . . 0.0 111.177 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 86.3 m -55.36 -55.84 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.241 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.1 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.177 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -45.63 86.33 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.25 -39.56 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.22 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.28 -41.79 94.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.93 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.57 -39.07 82.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.46 -34.54 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.25 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.34 -39.22 93.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.243 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -55.56 -49.76 71.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 167.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.72 -41.84 70.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.249 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.04 -40.97 82.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.83 -29.21 40.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.178 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.31 -19.89 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.256 -178.686 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.835 0.35 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.51 124.33 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.0 -16.81 25.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -69.49 -35.21 75.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 111.298 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.53 145.13 96.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -65.96 -28.73 49.8 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 121.695 1.597 . . . . 0.0 111.191 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.55 -45.43 79.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.31 -36.68 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.21 98.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.25 -41.03 96.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.55 -42.6 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 75.7 m -64.2 -42.1 96.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.191 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.24 -41.64 96.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.36 -47.26 84.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.257 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.48 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.165 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.43 96.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 97.2 m -58.49 -43.19 88.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.41 -48.76 80.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.53 -37.73 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.58 -43.04 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.94 -43.81 94.75 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -65.84 -39.28 90.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 111.233 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -51.67 68.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -59.02 -40.16 84.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.83 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.21 -43.74 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -59.86 -48.84 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 28.9 m -70.65 -26.23 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -172.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -76.16 -48.22 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.55 -41.79 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.78 -39.31 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.91 -52.59 25.46 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.63 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.21 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 84.8 m -55.24 -55.83 26.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.37 -41.08 83.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.228 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.99 -45.6 86.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -39.52 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 111.184 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.39 -41.72 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.95 -36.54 84.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.53 -39.06 82.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.5 -34.47 72.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.54 -39.08 93.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -55.6 -49.66 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -54.79 -41.9 71.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -58.03 -40.93 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.88 -29.18 39.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.24 -19.89 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.278 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.2 -1.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -178.713 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.59 124.39 20.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.98 -16.75 25.27 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 111.162 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.43 145.09 97.07 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.9 -28.8 50.28 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 121.677 1.584 . . . . 0.0 111.221 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.47 -45.43 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 173.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -72.38 -36.53 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.11 99.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.11 98.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.28 175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.28 -40.98 96.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.214 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.53 -42.49 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.225 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 75.6 m -64.35 -41.99 96.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.34 -41.57 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.44 -47.21 84.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.237 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.49 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.161 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -67.97 -35.7 78.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.41 96.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.195 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -58.68 -43.05 89.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.44 -48.79 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.265 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -62.43 -37.8 87.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 -176.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.52 -43.04 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -43.89 94.58 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.81 -39.34 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.241 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -51.63 68.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -58.96 -40.25 84.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.83 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 39.0 mmt -78.18 -43.75 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.88 -48.83 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 28.5 m -70.64 -26.28 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 -172.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -76.17 -48.17 28.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 40.0 mm -63.65 -41.78 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 44.3 t -66.62 -39.54 84.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.81 -52.54 25.18 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.53 93.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.226 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -55.37 -55.76 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.36 -41.08 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.215 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.51 86.96 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.34 -39.49 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 111.194 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.36 -41.74 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.92 -36.62 84.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.209 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.49 -39.02 82.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 171.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.55 -34.56 72.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.25 93.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -55.48 -49.73 71.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 167.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -54.83 -41.78 71.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 46.9 t -58.13 -40.91 82.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.23 -19.86 35.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.207 -178.701 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.849 0.357 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.54 124.44 20.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 111.94 -16.79 25.34 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.6 -35.25 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.0 111.118 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -68.45 145.16 97.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.87 -28.84 50.44 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.681 1.587 . . . . 0.0 111.236 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.26 -36.59 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.1 99.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.184 174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.2 98.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.191 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -61.23 -41.13 96.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -65.43 -42.58 92.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 75.8 m -64.2 -42.09 96.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.3 -41.63 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -58.37 -47.29 84.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.55 91.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 84.4 p -68.0 -35.64 78.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.41 96.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.206 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -58.57 -43.09 89.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.42 -48.85 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.143 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.48 -37.76 87.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -176.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.48 -43.09 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.93 -43.84 94.71 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -65.85 -39.29 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.65 68.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.204 176.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.274 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.99 -37.82 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 39.1 mmt -78.19 -43.7 27.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.97 -48.84 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 28.3 m -70.53 -26.41 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.185 -172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.13 -48.23 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 40.1 mm -63.62 -41.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 44.4 t -66.6 -39.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -49.9 -52.46 25.87 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.57 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 85.4 m -55.3 -55.82 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.24 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.38 -41.14 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -45.46 87.13 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 84.7 mt -66.33 -39.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.193 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -60.34 -41.75 94.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.97 -36.56 84.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.173 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.61 -39.02 82.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -70.51 -34.53 72.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -64.33 -39.33 93.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.46 -49.71 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 167.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -54.82 -41.82 71.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 46.8 t -58.1 -40.9 82.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -79.91 -29.13 39.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.85 35.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.2 -1.511 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.67 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.756 0.312 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.65 37.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.93 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.81 -8.23 56.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.729 0.3 . . . . 0.0 111.185 175.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.96 116.86 66.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.88 52.94 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.716 1.611 . . . . 0.0 111.17 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.16 87.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.19 93.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.86 91.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.218 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.95 93.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.56 97.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.53 72.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -61.89 -41.46 97.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -73.99 -31.15 62.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.39 -44.87 95.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 172.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.51 92.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -60.69 -46.84 88.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.8 95.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.24 71.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.176 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.98 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.22 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.25 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.1 89.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.84 -35.08 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 111.171 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.22 -40.04 96.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.248 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.47 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.215 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.6 67.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG21 HD12 ' F' ' 39' ' ' ILE . 53.3 t -64.87 -44.43 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -173.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.94 -45.35 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.24 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.24 -48.04 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.224 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.89 -47.99 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.237 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.482 ' HA2' HD21 ' R' ' 14' ' ' LEU . . . -51.61 -48.68 49.02 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.09 75.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.177 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.35 65.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.61 -35.76 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.25 87.95 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' E' ' 29' ' ' VAL . 38.2 mm -66.99 -41.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.39 97.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.46 84.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 45' ' ' PHE . 44.9 t80 -62.88 -39.13 93.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.41 79.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.24 -37.22 86.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.252 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 171.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.8 p -71.0 -23.24 62.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.222 175.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.82 11.16 38.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.4 4.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.201 -1.497 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.231 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.78 0.324 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.63 37.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.225 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.48 27.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.88 -8.25 56.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.832 0.348 . . . . 0.0 111.175 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.92 116.8 66.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.19 -32.92 52.22 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.747 1.631 . . . . 0.0 111.233 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.1 -42.09 93.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.8 91.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.95 93.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.53 97.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.89 -36.62 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.34 97.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.466 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.94 -31.35 63.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.13 -44.96 94.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.83 88.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.71 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.243 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.24 71.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.43 -47.97 79.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.23 79.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.65 -42.33 95.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.12 89.66 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.87 -35.03 76.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.04 95.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.24 -40.07 96.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.38 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.97 -50.64 67.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' G' ' 39' ' ' ILE . 53.2 t -64.73 -44.41 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.266 -173.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.06 -45.32 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.245 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.26 -48.01 75.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -48.0 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.65 -39.4 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' S' ' 14' ' ' LEU . . . -51.64 -48.63 49.35 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 176.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.07 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.219 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.83 -52.44 65.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.14 88.67 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' W' ' 29' ' ' VAL . 38.4 mm -67.0 -41.39 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.178 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.4 97.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.59 84.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' B' ' 45' ' ' PHE . 44.7 t80 -62.73 -39.3 93.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 175.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.07 -35.36 79.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.206 176.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.15 86.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 175.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' B' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.39 75.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 171.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.36 -32.0 73.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.227 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.93 -23.29 62.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.84 11.13 38.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.85 34.43 4.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -177.462 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.66 37.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.62 26.97 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -172.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.82 -8.32 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.167 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.82 116.84 66.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.202 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.26 -32.92 52.88 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.716 1.611 . . . . 0.0 111.212 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.272 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.14 -42.16 94.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.86 91.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.9 92.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.58 97.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.45 72.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.03 -41.41 98.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.492 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -73.99 -31.29 62.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.81 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 172.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.58 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.85 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.28 -48.25 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.247 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.02 79.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.242 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.22 79.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.67 -42.27 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 173.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.07 90.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.75 -35.2 76.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.248 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.171 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.3 -40.0 96.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.55 72.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.0 -50.63 67.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' H' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.211 -173.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.96 -45.33 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.25 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -68.3 -48.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.8 -48.09 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.227 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.59 -39.42 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.268 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' O' ' 14' ' ' LEU . . . -51.68 -48.62 49.61 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.2 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 111.206 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.83 -52.44 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -175.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.55 -35.76 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.14 88.19 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' G' ' 29' ' ' VAL . 38.5 mm -67.04 -41.34 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.75 -41.37 98.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.6 84.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' C' ' 45' ' ' PHE . 44.8 t80 -62.76 -39.18 93.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.191 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.11 -35.33 79.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.21 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' C' ' 42' ' ' PHE . 23.6 t80 -55.24 -47.42 75.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 171.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.41 -31.96 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.99 -23.18 62.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.251 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.12 38.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.46 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -177.485 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.867 0.365 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.68 37.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.74 26.76 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -172.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.74 -8.26 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.233 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.83 66.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.233 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.29 -32.85 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.68 1.586 . . . . 0.0 111.207 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.24 87.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.26 94.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.91 92.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.293 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.51 97.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.51 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.84 -41.48 97.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.49 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.7 mt -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.22 -44.92 94.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.248 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.49 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.71 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.36 -48.17 71.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.256 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -47.97 79.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.56 -35.24 79.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.66 -42.34 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.37 -44.09 89.82 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 174.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.8 -35.14 76.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.855 0.359 . . . . 0.0 111.174 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.1 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.252 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.21 -40.06 96.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.4 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.251 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.99 -50.62 67.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' I' ' 39' ' ' ILE . 53.4 t -64.79 -44.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.239 -173.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.07 -45.37 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.21 -48.08 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.83 -48.01 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.248 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' Y' ' 14' ' ' LEU . . . -51.69 -48.55 49.81 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.13 -46.15 74.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.146 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.94 -52.27 65.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.16 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.72 -35.67 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.178 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.01 -43.24 88.06 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Y' ' 29' ' ' VAL . 38.3 mm -67.01 -41.29 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 111.237 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.91 -41.31 97.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.54 84.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' D' ' 45' ' ' PHE . 44.7 t80 -62.79 -39.11 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.29 -35.23 79.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.16 86.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.188 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' D' ' 42' ' ' PHE . 23.6 t80 -55.3 -47.36 75.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 171.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.48 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.04 -23.15 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.97 11.19 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.44 4.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.181 -177.461 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.828 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.43 128.7 37.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.66 27.01 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.24 56.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.212 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.84 66.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.206 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -52.25 -32.84 52.39 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.724 1.616 . . . . 0.0 111.221 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.16 87.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.07 -42.13 93.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.265 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.76 91.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.97 93.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.167 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.53 97.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.86 -36.61 72.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.474 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.6 mt -73.94 -31.28 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 172.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.52 92.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.67 -46.71 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.81 95.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.187 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.34 -48.21 71.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.34 -48.06 79.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.13 79.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.24 95.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.0 90.23 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.94 -35.02 76.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 111.162 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.07 95.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.23 -39.99 96.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.42 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.92 -50.62 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.255 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' A' ' 39' ' ' ILE . 53.4 t -64.86 -44.33 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.43 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.17 -48.0 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.252 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.87 -48.07 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.209 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.62 -39.38 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' V' ' 14' ' ' LEU . . . -51.68 -48.63 49.54 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.07 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.42 65.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' ILE . . . . . . . . . . . . . 42.0 mm -66.52 -35.79 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.95 -43.27 87.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' ILE . . . . . 0.431 HD12 HG21 ' Z' ' 29' ' ' VAL . 38.5 mm -66.89 -41.42 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.349 . . . . 0.0 111.23 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.77 -41.31 97.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.22 -36.59 84.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' E' ' 45' ' ' PHE . 44.8 t80 -62.83 -39.1 93.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.33 79.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.25 86.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' E' ' 42' ' ' PHE . 23.6 t80 -55.28 -47.35 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.47 -31.87 73.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.198 -176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.01 -23.18 62.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.11 38.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.179 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.42 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.203 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.491 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -177.513 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.806 0.336 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.49 128.71 37.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -172.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.74 -8.28 56.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 111.226 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.88 116.87 66.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.24 -32.92 52.65 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.262 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.17 87.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.12 -42.12 94.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.85 91.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.212 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.04 93.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.6 96.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.236 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.43 72.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.06 -41.33 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -73.93 -31.3 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.269 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.13 -45.02 94.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.213 172.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.69 -46.72 89.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.83 95.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.33 -48.31 71.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.235 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.33 -48.03 79.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.52 -35.24 79.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.7 -42.26 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.203 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.32 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.76 -35.06 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 111.252 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.91 95.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.31 -40.05 96.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.42 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.54 68.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.213 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' B' ' 39' ' ' ILE . 53.3 t -64.82 -44.49 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.93 -45.36 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.206 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.28 -47.97 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.83 -48.07 88.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.67 -39.4 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' GLY . . . . . 0.478 ' HA2' HD21 ' F' ' 14' ' ' LEU . . . -51.65 -48.61 49.41 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.21 -46.02 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.162 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.92 -52.34 65.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.64 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.25 88.02 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' ILE . . . . . 0.421 HD12 HG21 ' A' ' 29' ' ' VAL . 38.4 mm -67.0 -41.34 87.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.32 97.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.251 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.19 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' F' ' 45' ' ' PHE . 44.6 t80 -62.81 -39.14 93.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.274 175.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.22 -35.26 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.247 175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' F' ' 42' ' ' PHE . 23.7 t80 -55.34 -47.34 75.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 171.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.48 -31.91 73.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -71.0 -23.22 62.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.09 38.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.41 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.269 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.51 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -177.483 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.793 0.33 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.62 37.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.215 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.63 26.95 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.8 -8.25 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 0.0 111.216 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.82 66.17 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.86 52.62 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.705 1.604 . . . . 0.0 111.225 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -47.17 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.14 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.8 91.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.191 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.55 97.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.251 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.84 -36.59 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.83 -41.47 97.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -73.96 -31.32 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.21 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.2 -44.88 94.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.49 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.63 -46.82 88.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.8 95.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.32 -48.24 71.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.11 79.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.73 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 173.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.45 -44.07 90.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -68.82 -35.14 76.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.01 95.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.247 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.28 -40.01 96.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.47 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.62 67.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' C' ' 39' ' ' ILE . 53.4 t -64.84 -44.33 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 -173.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.04 -45.38 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.06 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.07 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.236 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.57 -39.45 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' GLY . . . . . 0.48 ' HA2' HD21 ' X' ' 14' ' ' LEU . . . -51.66 -48.68 49.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.11 75.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.81 -52.42 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.24 88.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' B' ' 29' ' ' VAL . 38.3 mm -66.92 -41.34 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.203 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.16 -36.55 84.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' G' ' 45' ' ' PHE . 44.9 t80 -62.8 -39.17 93.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.232 175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.17 -35.29 79.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.14 86.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' G' ' 42' ' ' PHE . 23.4 t80 -55.35 -47.35 75.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 171.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 46' ' ' THR . . . . . . . . . . . . . 62.9 p -65.44 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.96 -23.21 62.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.9 11.19 38.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.4 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.189 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -177.527 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.43 128.69 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.71 26.81 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.79 -8.29 56.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 111.162 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.82 66.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.32 -32.81 53.04 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.626 1.551 . . . . 0.0 111.197 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.23 87.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.25 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.01 93.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 176.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.237 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.43 72.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.48 97.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.208 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.9 mt -73.9 -31.31 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.258 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.26 -44.87 94.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.218 172.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.5 92.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.69 -46.8 88.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.72 95.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.233 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' THR . . . . . . . . . . . . . 94.9 m -54.38 -48.24 71.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.65 -35.14 79.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.64 -42.36 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.23 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -43.98 90.34 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 111.208 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.05 95.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.27 -39.98 96.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.207 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.45 72.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.05 -50.58 67.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' D' ' 39' ' ' ILE . 53.2 t -64.78 -44.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -173.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.4 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' VAL . . . . . . . . . . . . . 54.9 t -68.21 -47.98 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.189 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -48.1 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.48 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' H' ' 14' ' ' LEU . . . -51.65 -48.63 49.38 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.1 75.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 111.218 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.86 -52.28 65.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.276 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.68 -35.73 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.97 -43.24 87.9 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' C' ' 29' ' ' VAL . 38.5 mm -66.97 -41.34 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 111.173 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.89 -41.3 97.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.55 84.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 42' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' H' ' 45' ' ' PHE . 45.0 t80 -62.78 -39.15 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.27 -35.27 79.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.25 86.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.276 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 45' ' ' PHE . . . . . 0.428 ' HB3' ' O ' ' H' ' 42' ' ' PHE . 23.8 t80 -55.27 -47.32 75.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 171.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.87 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 47' ' ' SER . . . . . . . . . . . . . 59.9 p -71.0 -23.28 62.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.76 11.05 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.245 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.73 34.41 4.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -177.49 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.76 0.314 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.36 128.66 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.194 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.14 -19.63 27.09 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.269 -0.733 . . . . 0.0 111.269 -172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.27 56.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 111.21 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.84 116.84 66.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.33 -32.8 53.0 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.564 . . . . 0.0 111.209 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.22 87.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.0 -42.21 93.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.215 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.78 91.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.05 93.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.64 96.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.77 -36.56 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.262 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.91 -41.4 97.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.198 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.93 -31.32 63.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.85 94.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 172.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.59 91.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 74.9 m -60.6 -46.83 88.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.258 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.81 95.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.226 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.38 -48.15 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -48.06 79.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.64 -35.2 79.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 -175.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.62 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.02 90.22 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.8 -35.16 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.13 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.16 -40.08 96.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.41 72.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.63 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -59.96 -45.43 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.93 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.83 -48.04 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' GLY . . . . . 0.49 ' HA2' HD21 ' D' ' 14' ' ' LEU . . . -51.63 -48.63 49.25 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 176.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.17 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 111.22 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.84 -52.39 65.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.72 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.219 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.22 88.01 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' D' ' 29' ' ' VAL . 38.3 mm -67.0 -41.32 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.205 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.23 97.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.17 -36.61 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.249 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' I' ' 45' ' ' PHE . 44.9 t80 -62.77 -39.15 93.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.21 -35.31 79.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.17 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' I' ' 42' ' ' PHE . 23.4 t80 -55.3 -47.33 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 171.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 46' ' ' THR . . . . . . . . . . . . . 62.7 p -65.46 -31.95 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.96 -23.17 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.87 11.12 38.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.79 34.36 4.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.24 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -177.454 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.861 0.362 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.69 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.17 -19.63 27.03 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.83 -8.19 56.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 111.181 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.92 116.82 66.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 6' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.29 -32.84 52.87 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.663 1.576 . . . . 0.0 111.153 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.15 87.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.232 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.84 91.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.02 93.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.62 -43.54 97.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.84 -36.56 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.181 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.38 97.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' LEU . . . . . 0.483 HD21 ' HA2' ' X' ' 34' ' ' GLY . 93.5 mt -74.01 -31.32 62.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.21 -44.91 94.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.234 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.51 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.252 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.69 -46.83 88.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.189 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.83 95.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.42 -48.16 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.47 -48.05 79.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.5 -35.19 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.8 -42.28 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.42 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.79 -35.12 76.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.231 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.02 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.28 -40.0 96.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.92 -43.37 73.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.64 67.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' O' ' 39' ' ' ILE . 53.2 t -64.86 -44.29 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.264 -173.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.1 -45.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.29 -48.0 75.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.58 -39.52 82.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.61 -48.62 49.15 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.06 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.229 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.95 -52.3 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.198 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.05 -43.22 88.31 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.0 -41.41 87.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 111.188 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.27 97.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.213 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.27 -36.45 84.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' J' ' 45' ' ' PHE . 44.8 t80 -62.84 -39.11 93.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.3 -35.23 79.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.32 -37.16 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.265 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' J' ' 42' ' ' PHE . 23.5 t80 -55.38 -47.31 76.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 171.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 46' ' ' THR . . . . . . . . . . . . . 62.5 p -65.53 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -71.06 -23.13 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.9 11.14 38.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.77 34.39 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 50' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -177.45 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.76 0.315 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.6 37.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.71 26.63 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.72 -8.32 56.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 0.0 111.238 175.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.78 65.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.84 52.68 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.688 1.592 . . . . 0.0 111.208 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.14 -42.11 94.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.212 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.97 93.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.46 97.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.96 -36.51 72.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.93 -41.41 97.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' T' ' 34' ' ' GLY . 93.5 mt -74.0 -31.22 62.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.31 -44.86 95.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 172.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.61 92.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.56 -46.82 88.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.75 95.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' THR . . . . . . . . . . . . . 94.2 m -54.36 -48.19 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.238 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.06 79.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.57 -35.22 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -175.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.71 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 173.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.16 89.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.79 -35.09 76.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.09 94.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.201 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.02 96.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.44 73.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.98 -50.59 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 29' ' ' VAL . . . . . 0.423 HG21 HD12 ' P' ' 39' ' ' ILE . 53.3 t -64.89 -44.37 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -173.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.41 95.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.01 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.88 -47.95 88.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.237 -177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.62 -39.52 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.62 49.86 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.11 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.221 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.241 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.54 -35.71 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.26 88.17 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.92 -41.39 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.239 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.78 -41.41 97.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.16 -36.51 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 42' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' K' ' 45' ' ' PHE . 44.9 t80 -62.78 -39.2 93.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.267 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.07 -35.37 79.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.17 86.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 175.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 45' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' K' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.32 75.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 171.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.44 -31.97 73.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -70.97 -23.24 62.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.84 11.18 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.22 174.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.36 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.506 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -177.432 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.804 0.335 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.67 37.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.65 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.76 -8.25 56.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.95 116.86 66.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -52.31 -32.81 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.727 1.618 . . . . 0.0 111.208 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.26 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.212 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.22 93.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.86 91.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.98 93.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -60.64 -43.54 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.62 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.44 97.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.232 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 14' ' ' LEU . . . . . 0.486 HD21 ' HA2' ' U' ' 34' ' ' GLY . 93.6 mt -73.97 -31.26 62.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.28 -44.85 94.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 172.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.53 91.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.7 -46.78 89.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.89 95.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.207 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.3 -48.25 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.04 79.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.63 -35.18 79.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.76 -42.2 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 173.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.0 90.39 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.91 -35.08 76.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 111.18 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.26 -40.01 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.44 72.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.224 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.57 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Q' ' 39' ' ' ILE . 53.4 t -64.93 -44.29 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.18 -173.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.02 -45.34 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.233 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.94 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.267 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.91 -47.95 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.267 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.69 -39.39 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.11 75.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.234 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.85 -52.36 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.34 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -67.03 -41.26 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 111.232 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.34 97.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.15 -36.53 84.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' L' ' 45' ' ' PHE . 44.9 t80 -62.85 -39.18 93.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.189 175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.35 79.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.23 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' L' ' 42' ' ' PHE . 23.8 t80 -55.35 -47.25 76.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 171.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.54 -31.89 73.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.212 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -23.18 62.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.99 11.33 37.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.86 34.3 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 50' ' ' SER . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -177.444 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 128.66 37.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -19.67 26.93 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.83 -8.21 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 111.228 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.81 66.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -32.82 52.93 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.657 1.572 . . . . 0.0 111.227 178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.21 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.241 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.86 91.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.218 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.96 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.227 176.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.54 97.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.85 -36.52 72.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.232 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.41 97.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 14' ' ' LEU . . . . . 0.479 HD21 ' HA2' ' V' ' 34' ' ' GLY . 93.7 mt -74.0 -31.29 62.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.27 -44.9 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 172.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.53 92.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.69 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.211 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.34 -48.17 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.264 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.01 79.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.12 79.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.76 -42.24 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 173.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -43.99 90.4 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.86 -35.13 76.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.29 -39.96 96.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.45 73.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.64 67.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 29' ' ' VAL . . . . . 0.418 HG21 HD12 ' R' ' 39' ' ' ILE . 53.5 t -64.91 -44.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.195 -173.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.04 -45.34 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.192 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.3 -47.87 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.96 -48.05 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 33' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.63 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.75 -48.51 50.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.09 75.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.225 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 36' ' ' THR . . . . . . . . . . . . . 99.7 m -56.9 -52.32 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.66 -35.74 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.96 -43.26 87.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.92 -41.36 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.276 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.23 -36.5 84.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 42' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' M' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.2 93.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.27 79.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.13 86.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 175.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 45' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' M' ' 42' ' ' PHE . 23.5 t80 -55.34 -47.35 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.47 -31.88 73.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 47' ' ' SER . . . . . . . . . . . . . 60.3 p -70.99 -23.21 62.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 175.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.27 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.32 5.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.201 -1.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.211 -177.502 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.768 0.318 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.67 37.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.74 -8.41 56.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.84 116.88 66.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.25 -32.95 52.96 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.732 1.621 . . . . 0.0 111.148 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.13 -42.07 94.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.79 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.181 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.94 92.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.57 97.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.85 -36.59 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.89 -41.42 97.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' W' ' 34' ' ' GLY . 93.6 mt -73.95 -31.39 63.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.98 94.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 172.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.61 92.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.214 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.83 88.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.223 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.82 95.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.36 -48.25 71.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.37 -48.04 79.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.61 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.73 -42.23 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -43.96 90.52 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 174.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.13 94.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.19 -40.03 96.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.96 -50.67 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 29' ' ' VAL . . . . . 0.428 HG21 HD12 ' S' ' 39' ' ' ILE . 53.3 t -64.79 -44.38 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.237 -173.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.97 -45.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.28 -48.0 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.86 -48.0 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 33' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.53 -39.57 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.17 74.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.152 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.81 -52.34 65.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.7 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.92 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.96 -41.39 87.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.323 . . . . 0.0 111.155 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.21 -36.52 84.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.273 174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 42' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' N' ' 45' ' ' PHE . 44.7 t80 -62.74 -39.23 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.221 175.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.2 79.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.45 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 45' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' N' ' 42' ' ' PHE . 23.7 t80 -55.33 -47.37 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 171.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.46 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.239 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 175.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.9 11.27 37.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.93 34.48 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.199 -1.569 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -177.479 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.804 0.335 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.66 37.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.61 26.95 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -172.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.23 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 111.224 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.9 116.84 66.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.22 -32.96 52.69 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.713 1.609 . . . . 0.0 111.138 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.12 87.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.178 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.2 -42.11 94.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.77 91.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.251 176.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.06 93.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.5 97.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.255 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.98 -36.48 72.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.188 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.0 -41.32 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' C' ' 34' ' ' GLY . 93.6 mt -74.09 -31.22 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.26 -44.89 94.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 172.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.5 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.71 -46.73 89.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.184 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.58 -44.79 95.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.46 -48.15 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.38 -48.05 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.61 -35.23 79.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 22' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.69 -42.21 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.37 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.83 -35.07 76.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.19 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.99 95.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.245 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.29 -39.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.235 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.66 67.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 29' ' ' VAL . . . . . 0.422 HG21 HD12 ' T' ' 39' ' ' ILE . 53.1 t -64.76 -44.45 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.02 -45.31 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 31' ' ' VAL . . . . . . . . . . . . . 53.4 t -68.25 -47.99 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -48.02 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.51 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.197 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.64 -48.59 49.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.11 75.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 0.0 111.209 175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.89 -52.3 65.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.22 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.67 -35.63 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.14 -43.17 88.76 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 39' ' ' ILE . . . . . 0.426 HD12 HG21 ' J' ' 29' ' ' VAL . 38.3 mm -66.99 -41.35 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.193 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.88 -41.29 97.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.2 -36.5 84.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 174.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 42' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' O' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.24 93.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.05 -35.43 79.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.23 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 45' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' O' ' 42' ' ' PHE . 23.6 t80 -55.34 -47.31 75.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 171.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -65.42 -31.96 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -70.93 -23.25 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.88 11.22 38.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.38 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.199 -1.56 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -177.368 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.836 0.35 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.71 38.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.247 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.14 -19.64 27.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.71 -8.35 56.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.851 0.357 . . . . 0.0 111.217 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.88 116.84 66.3 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.21 -32.96 52.55 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.683 1.589 . . . . 0.0 111.241 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.21 87.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.08 -42.2 94.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.03 -42.84 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.93 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.53 97.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.84 -36.55 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -62.03 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' Y' ' 34' ' ' GLY . 93.5 mt -73.98 -31.34 62.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.24 -44.87 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.203 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.39 -48.17 71.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.228 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.06 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.67 -35.22 79.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -175.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.24 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.4 -44.14 89.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.79 -35.1 76.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.309 . . . . 0.0 111.169 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.09 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.207 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.28 -40.01 96.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.47 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.03 -50.56 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' U' ' 39' ' ' ILE . 53.2 t -64.79 -44.39 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.245 -173.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.04 -45.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.21 -48.08 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.85 -48.0 88.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.237 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.67 -39.39 82.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.65 49.41 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 0.0 111.192 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.8 -52.42 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 -175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.61 -35.7 75.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.23 88.58 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' ILE . . . . . 0.423 HD12 HG21 ' K' ' 29' ' ' VAL . 38.5 mm -66.93 -41.39 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.21 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.31 97.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.39 -36.39 83.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 174.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' P' ' 45' ' ' PHE . 44.7 t80 -62.83 -39.18 93.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -35.37 79.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.27 -37.19 86.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' P' ' 42' ' ' PHE . 23.5 t80 -55.35 -47.41 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 171.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.39 -31.92 73.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.29 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.84 11.25 37.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.241 174.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.86 34.41 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 -177.516 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Q' Q ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Q' Q ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.4 128.7 37.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.13 -19.62 27.14 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.82 -8.2 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.83 66.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.29 -32.88 53.05 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.677 1.585 . . . . 0.0 111.154 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.19 93.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.81 91.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.198 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.0 93.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.6 97.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.8 -36.55 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.215 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 14' ' ' LEU . . . . . 0.476 HD21 ' HA2' ' Z' ' 34' ' ' GLY . 93.7 mt -73.97 -31.26 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.87 94.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.46 91.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.62 -46.85 88.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.83 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.44 -48.13 72.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.52 -47.94 79.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.6 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -175.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.05 90.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.06 76.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.143 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.97 95.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.238 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.07 96.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.43 73.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.187 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.96 -50.61 67.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 29' ' ' VAL . . . . . 0.425 HG21 HD12 ' V' ' 39' ' ' ILE . 53.4 t -64.83 -44.41 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.31 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -48.01 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.83 -48.06 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.59 -39.52 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.71 -48.53 50.02 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.12 74.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.753 0.311 . . . . 0.0 111.156 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.34 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.58 -35.81 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.2 88.04 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' L' ' 29' ' ' VAL . 38.3 mm -67.0 -41.33 87.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.25 -36.48 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.198 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Q' ' 45' ' ' PHE . 45.0 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.191 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.16 -35.35 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.176 176.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.11 86.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Q' ' 42' ' ' PHE . 24.0 t80 -55.33 -47.33 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 171.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Q' Q ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.47 -31.87 73.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.253 -176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.24 62.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.281 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.88 34.4 4.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -177.472 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' R' R ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' R' R ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.36 128.66 37.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.72 26.83 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.79 -8.22 56.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 111.242 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.85 116.8 66.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.19 -32.86 51.98 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.661 1.574 . . . . 0.0 111.309 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.24 87.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.17 93.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.84 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.96 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.52 -43.55 96.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.48 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 13' ' ' SER . . . . . . . . . . . . . 73.9 m -61.98 -41.36 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 14' ' ' LEU . . . . . 0.482 HD21 ' HA2' ' A' ' 34' ' ' GLY . 93.6 mt -74.01 -31.33 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.17 -45.0 94.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 172.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.54 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.66 -46.84 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.77 95.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.204 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.68 -35.16 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.64 -42.26 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.96 90.73 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.88 -35.16 76.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.15 94.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 26' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -63.32 -39.96 96.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.38 73.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.196 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.55 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' W' ' 39' ' ' ILE . 53.4 t -64.8 -44.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.98 -45.37 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.25 -47.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.08 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.6 -39.56 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.58 -48.55 49.14 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.08 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.88 -52.34 65.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -175.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.66 -35.76 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.26 87.91 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 39' ' ' ILE . . . . . 0.418 HD12 HG21 ' M' ' 29' ' ' VAL . 38.4 mm -66.87 -41.39 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.253 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.9 -41.23 97.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.23 -36.53 84.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 174.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 42' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' R' ' 45' ' ' PHE . 45.0 t80 -62.84 -39.17 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 175.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.37 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 45' ' ' PHE . . . . . 0.436 ' HB3' ' O ' ' R' ' 42' ' ' PHE . 24.1 t80 -55.19 -47.46 75.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 171.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' R' R ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.43 -31.9 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.206 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.99 -23.26 62.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.86 11.26 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.33 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' R' R ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -177.422 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.31 128.63 37.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.66 27.04 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.73 -8.28 56.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 111.242 175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.86 116.75 65.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.24 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.11 -32.88 51.22 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.629 1.552 . . . . 0.0 111.292 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -47.22 87.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.02 -42.13 93.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.263 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.84 91.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.89 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.64 -43.48 97.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.221 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.9 -36.51 72.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.87 -41.49 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . 0.469 HD21 ' HA2' ' B' ' 34' ' ' GLY . 93.7 mt -73.97 -31.32 62.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.9 94.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.65 92.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.64 -46.82 88.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.21 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.69 95.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.49 -48.03 79.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.19 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.78 -42.18 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.53 -43.98 90.65 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.88 -35.09 76.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.04 95.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.2 -40.04 96.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.4 73.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -63.97 -50.62 67.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' VAL . . . . . 0.427 HG21 HD12 ' X' ' 39' ' ' ILE . 53.4 t -64.81 -44.45 96.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -173.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.05 -45.28 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.33 -47.94 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.91 -48.03 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.47 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.68 -48.57 49.72 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.19 -46.11 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.82 -52.38 65.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 -175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.62 -35.67 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.13 88.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' ILE . . . . . 0.428 HD12 HG21 ' N' ' 29' ' ' VAL . 38.5 mm -66.96 -41.34 87.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.808 0.337 . . . . 0.0 111.267 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.28 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.55 84.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 42' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' S' ' 45' ' ' PHE . 44.8 t80 -62.72 -39.21 93.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.228 175.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.35 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.209 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.38 -37.09 86.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 45' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' S' ' 42' ' ' PHE . 23.8 t80 -55.42 -47.29 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 171.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -65.5 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 -176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.9 -23.33 62.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -97.87 11.24 38.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.8 34.38 4.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.249 -177.508 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' T' T ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.847 0.356 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' T' T ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.3 128.64 37.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.13 -19.61 27.14 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -172.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.76 -8.26 56.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 111.282 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.83 66.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.3 -32.84 52.93 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.71 1.606 . . . . 0.0 111.169 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.25 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.04 -42.21 93.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.9 91.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.95 93.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.219 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.63 -43.5 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.87 -36.59 72.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -61.87 -41.48 97.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 14' ' ' LEU . . . . . 0.495 HD21 ' HA2' ' H' ' 34' ' ' GLY . 93.6 mt -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.89 94.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.149 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.51 91.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.189 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.59 -46.85 88.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.82 95.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -54.33 -48.19 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.215 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.47 -48.08 79.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.18 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.68 -42.19 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.265 173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.5 -44.04 90.52 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -68.78 -35.13 76.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 111.265 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.14 -44.01 95.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -40.03 96.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.75 -43.43 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.63 67.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.192 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 29' ' ' VAL . . . . . 0.424 HG21 HD12 ' Y' ' 39' ' ' ILE . 53.4 t -64.78 -44.44 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.0 -45.34 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.22 -48.09 75.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 32' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.76 -48.08 88.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.282 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 33' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.51 -39.56 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.495 ' HA2' HD21 ' K' ' 14' ' ' LEU . . . -51.64 -48.61 49.35 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -46.0 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.317 . . . . 0.0 111.277 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.93 -52.32 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.75 75.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.21 88.03 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 39' ' ' ILE . . . . . 0.422 HD12 HG21 ' O' ' 29' ' ' VAL . 38.2 mm -67.03 -41.32 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.81 -41.34 97.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.22 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' T' ' 45' ' ' PHE . 45.0 t80 -62.87 -39.14 93.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.4 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 175.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' T' ' 42' ' ' PHE . 23.4 t80 -55.26 -47.44 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 171.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.43 -31.86 73.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p -70.98 -23.32 62.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.2 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.43 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -177.462 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' U' U ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.792 0.33 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' U' U ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.41 128.63 37.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.25 -19.66 26.79 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -172.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.25 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 0.0 111.182 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.87 116.85 66.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 6' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.25 -32.93 52.83 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.719 1.613 . . . . 0.0 111.126 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.19 87.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.04 -42.2 93.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.81 91.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.04 93.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.67 -43.41 97.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.94 -36.58 72.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.85 -41.49 97.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 14' ' ' LEU . . . . . 0.489 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.6 mt -73.97 -31.23 62.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.88 95.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 172.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.41 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.266 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.7 -46.83 88.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.81 95.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.43 -48.16 72.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -48.07 79.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.228 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.63 -35.22 79.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.75 -42.16 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.209 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.41 -44.09 90.04 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.83 -35.13 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 111.179 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.97 95.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.22 -40.06 96.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.215 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.06 -50.63 67.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 29' ' ' VAL . . . . . 0.433 HG21 HD12 ' Z' ' 39' ' ' ILE . 53.3 t -64.78 -44.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -173.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.95 -45.38 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.216 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.24 -48.0 75.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 32' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.91 -47.98 88.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.219 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.72 -39.36 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 34' ' ' GLY . . . . . 0.486 ' HA2' HD21 ' L' ' 14' ' ' LEU . . . -51.69 -48.62 49.68 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.08 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.81 0.338 . . . . 0.0 111.211 175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.4 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.177 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.06 88.61 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' P' ' 29' ' ' VAL . 38.2 mm -67.06 -41.32 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.29 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.17 -36.53 84.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 42' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' U' ' 45' ' ' PHE . 44.9 t80 -62.94 -39.03 93.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.241 175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.214 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.16 86.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 45' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' U' ' 42' ' ' PHE . 23.8 t80 -55.3 -47.33 75.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 171.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' U' U ' 46' ' ' THR . . . . . . . . . . . . . 62.3 p -65.51 -31.85 73.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.174 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 47' ' ' SER . . . . . . . . . . . . . 59.4 p -71.02 -23.19 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.11 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 174.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.83 34.48 4.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.516 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 -177.505 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' V' V ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.763 0.316 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' V' V ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.68 37.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -172.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.28 56.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.147 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.86 116.79 66.0 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.223 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.22 -32.86 52.24 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.652 1.568 . . . . 0.0 111.246 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.11 87.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.16 -42.06 94.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.9 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.97 93.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.57 97.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.92 -36.4 72.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -62.01 -41.37 98.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' E' ' 34' ' ' GLY . 93.7 mt -74.0 -31.3 62.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.195 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.24 -44.86 94.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.261 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.53 91.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.87 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.78 95.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.34 -48.2 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.42 -48.05 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.202 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.15 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.218 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.69 -42.22 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.244 173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.06 90.33 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 24' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.77 -35.16 76.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.782 0.325 . . . . 0.0 111.195 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.05 95.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -39.91 95.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.185 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.36 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.72 67.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 29' ' ' VAL . . . . . 0.417 HG21 HD12 ' A' ' 39' ' ' ILE . 53.3 t -64.76 -44.43 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 -173.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.02 -45.32 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.79 -48.08 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.42 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 34' ' ' GLY . . . . . 0.479 ' HA2' HD21 ' M' ' 14' ' ' LEU . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 0.0 111.237 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.33 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.211 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.58 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.15 -43.13 88.81 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 39' ' ' ILE . . . . . 0.425 HD12 HG21 ' Q' ' 29' ' ' VAL . 38.3 mm -67.01 -41.35 87.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.188 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.16 -36.52 84.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.22 174.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' V' ' 45' ' ' PHE . 45.1 t80 -62.85 -39.15 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 175.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.44 79.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.25 -37.2 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.187 175.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' V' ' 42' ' ' PHE . 23.4 t80 -55.39 -47.3 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' V' V ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.45 -31.92 73.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.24 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.98 -23.13 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.19 38.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.38 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.209 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' V' V ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.227 -177.461 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.825 0.345 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.69 37.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.7 26.82 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 -172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.78 -8.23 56.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.2 175.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.77 65.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.255 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 6' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -52.16 -32.85 51.62 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.632 1.555 . . . . 0.0 111.283 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.14 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.13 -42.08 94.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.251 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.87 91.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.03 93.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.55 -43.54 97.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.91 -36.51 72.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -61.87 -41.45 97.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 14' ' ' LEU . . . . . 0.478 HD21 ' HA2' ' F' ' 34' ' ' GLY . 93.8 mt -74.03 -31.25 62.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.88 95.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.68 -46.77 89.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.68 95.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.261 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -54.54 -48.14 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.42 -48.06 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.71 -42.29 95.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.46 -44.04 90.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.82 -35.1 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.1 -44.0 95.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.218 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.36 -40.01 96.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.54 73.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.58 68.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' B' ' 39' ' ' ILE . 53.5 t -64.89 -44.35 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -173.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.06 -45.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.31 -47.99 75.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.88 -48.03 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.57 -39.51 82.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.183 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' N' ' 14' ' ' LEU . . . -51.72 -48.56 49.98 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.1 75.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 111.217 175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.92 -52.34 65.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.67 -35.66 75.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.234 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.04 -43.19 88.25 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' R' ' 29' ' ' VAL . 38.3 mm -66.96 -41.42 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 111.211 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.21 97.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.252 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.22 -36.56 84.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' W' ' 45' ' ' PHE . 44.7 t80 -62.75 -39.24 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.32 79.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.266 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.09 86.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' W' ' 42' ' ' PHE . 23.7 t80 -55.37 -47.37 75.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 171.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 46' ' ' THR . . . . . . . . . . . . . 62.8 p -65.4 -31.95 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.92 -23.24 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.89 11.22 38.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.49 4.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 -177.398 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.822 0.344 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.34 128.65 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.21 -19.63 26.92 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.82 -8.21 56.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.19 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.88 116.8 66.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.28 -32.88 52.91 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.698 1.599 . . . . 0.0 111.152 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.02 -47.3 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.193 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.77 91.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.02 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.53 -43.58 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.9 -36.47 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.214 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -62.02 -41.34 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' G' ' 34' ' ' GLY . 93.6 mt -74.06 -31.22 62.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.28 -44.85 94.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.51 91.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.63 -46.83 88.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.85 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.31 -48.24 71.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.95 79.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.252 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.59 -35.26 79.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.69 -42.29 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.44 -44.1 90.18 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.74 -35.16 76.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 111.144 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.06 95.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.179 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.01 96.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.246 175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.37 73.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.75 67.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.426 HG21 HD12 ' C' ' 39' ' ' ILE . 53.3 t -64.74 -44.41 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.277 -173.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' VAL . . . . . . . . . . . . . 47.4 t -60.0 -45.3 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.267 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.22 -48.12 75.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.81 -48.04 88.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.189 -177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 33' ' ' VAL . . . . . . . . . . . . . 47.7 t -67.7 -39.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.25 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 34' ' ' GLY . . . . . 0.483 ' HA2' HD21 ' J' ' 14' ' ' LEU . . . -51.75 -48.58 50.15 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.19 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 36' ' ' THR . . . . . . . . . . . . . 99.9 m -56.97 -52.3 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.66 -35.68 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.11 -43.12 88.63 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 175.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 39' ' ' ILE . . . . . 0.427 HD12 HG21 ' S' ' 29' ' ' VAL . 38.4 mm -66.98 -41.36 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 111.197 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.4 97.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.25 -36.5 84.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 174.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 42' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' X' ' 45' ' ' PHE . 45.0 t80 -62.8 -39.14 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.218 175.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.32 79.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.31 -37.16 86.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 45' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' X' ' 42' ' ' PHE . 23.8 t80 -55.34 -47.35 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 171.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.38 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.214 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p -70.98 -23.15 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.89 11.2 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.84 34.39 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.201 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.215 -177.417 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.825 0.345 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.37 128.66 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.223 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.16 -19.63 27.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -172.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.85 -8.28 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.78 116.83 66.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.32 -32.89 53.35 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.7 1.6 . . . . 0.0 111.16 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.21 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.19 93.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.83 91.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -40.01 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.53 97.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.91 -36.56 72.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.89 -41.41 97.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 14' ' ' LEU . . . . . 0.493 HD21 ' HA2' ' D' ' 34' ' ' GLY . 93.5 mt -74.08 -31.17 62.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.26 -44.99 94.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.58 92.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.187 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.55 -46.85 88.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.74 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.43 -48.14 72.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.196 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.13 79.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.276 -175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.67 -42.29 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.207 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.05 90.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.73 -35.19 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 111.235 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.03 95.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -40.06 96.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.39 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.194 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.58 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' D' ' 39' ' ' ILE . 53.3 t -64.82 -44.44 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -173.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.99 -45.26 95.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.236 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.35 -47.95 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 32' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -48.04 88.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.67 -39.46 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 34' ' ' GLY . . . . . 0.493 ' HA2' HD21 ' P' ' 14' ' ' LEU . . . -51.63 -48.64 49.23 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.179 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.87 -52.35 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.189 -175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.6 -35.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.92 -43.28 87.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 39' ' ' ILE . . . . . 0.424 HD12 HG21 ' T' ' 29' ' ' VAL . 38.7 mm -66.92 -41.41 87.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.176 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.86 -41.26 97.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.25 -36.47 84.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 42' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' Y' ' 45' ' ' PHE . 44.9 t80 -62.89 -39.12 93.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.196 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.23 -35.29 79.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.35 -37.22 86.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.182 175.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 45' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' Y' ' 42' ' ' PHE . 23.7 t80 -55.23 -47.35 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.264 171.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 46' ' ' THR . . . . . . . . . . . . . 63.8 p -65.38 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.216 -176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 47' ' ' SER . . . . . . . . . . . . . 60.1 p -71.06 -23.21 62.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.79 11.12 38.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.38 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.538 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 -177.467 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Z' Z ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Z' Z ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.38 128.65 37.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.27 -19.75 26.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.7 -8.28 56.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.95 116.86 66.47 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 6' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -52.28 -32.87 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.664 1.576 . . . . 0.0 111.18 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.22 87.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 8' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -60.08 -42.14 93.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.75 91.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.05 93.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.54 -43.6 97.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -41.44 97.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 14' ' ' LEU . . . . . 0.48 HD21 ' HA2' ' I' ' 34' ' ' GLY . 93.6 mt -73.95 -31.19 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.25 -44.97 94.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 172.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.98 -44.55 92.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.59 -46.86 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.72 95.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 19' ' ' THR . . . . . . . . . . . . . 95.0 m -54.48 -48.13 72.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.164 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.04 79.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.24 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 -175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.71 -42.22 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 173.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.35 -44.14 89.76 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.81 -35.07 76.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.03 95.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.33 -40.01 96.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.42 73.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.206 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.01 -50.6 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 29' ' ' VAL . . . . . 0.431 HG21 HD12 ' E' ' 39' ' ' ILE . 53.4 t -64.84 -44.37 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.176 -173.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.91 -45.45 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.21 -47.96 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.261 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -48.06 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -39.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 34' ' ' GLY . . . . . 0.476 ' HA2' HD21 ' Q' ' 14' ' ' LEU . . . -51.69 -48.57 49.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.09 75.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.24 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 36' ' ' THR . . . . . . . . . . . . . 99.2 m -56.91 -52.32 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.67 -35.69 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.22 88.4 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 39' ' ' ILE . . . . . 0.433 HD12 HG21 ' U' ' 29' ' ' VAL . 38.4 mm -66.96 -41.37 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -41.37 97.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.19 -36.53 84.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 42' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' Z' ' 45' ' ' PHE . 45.1 t80 -62.82 -39.13 93.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.32 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.36 -37.18 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 45' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' Z' ' 42' ' ' PHE . 23.9 t80 -55.27 -47.4 75.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 171.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Z' Z ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -65.4 -31.92 73.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.247 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.97 -23.31 62.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.208 175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.79 11.13 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.79 34.4 4.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Z' Z ' 50' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.201 -1.492 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -177.469 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' a' a ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.759 0.314 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' a' a ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.27 128.61 37.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.58 27.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 4' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -87.77 -8.25 56.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 111.23 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.86 116.84 66.29 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.3 -32.87 53.05 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.674 1.583 . . . . 0.0 111.186 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.98 -47.31 87.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.218 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.01 -42.17 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.87 91.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.94 93.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.58 -43.54 97.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 12' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.93 -36.53 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.85 -41.45 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.04 -31.28 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.22 -44.97 94.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -44.52 92.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.65 -46.76 89.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.25 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.84 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.41 -48.18 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.99 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.17 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 -175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.72 -42.26 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.194 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.03 90.34 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.79 -35.11 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.224 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.01 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.32 -39.93 95.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.217 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.44 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.0 -50.59 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.77 -44.38 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.0 -45.39 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.29 -47.97 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.85 -48.04 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.18 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.62 -39.45 82.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.79 -48.56 50.42 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.11 75.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.338 . . . . 0.0 111.188 175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.88 -52.29 65.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.71 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.09 -43.2 88.5 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 39' ' ' ILE . . . . . . . . . . . . . 38.2 mm -66.96 -41.33 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.698 0.285 . . . . 0.0 111.155 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.28 97.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.242 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.33 -36.4 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 174.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.84 -39.25 93.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.34 79.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.3 -37.19 86.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.191 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.32 -47.31 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -65.41 -31.99 73.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 47' ' ' SER . . . . . . . . . . . . . 60.4 p -70.94 -23.26 62.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.86 11.22 38.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.91 34.37 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' a' a ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.547 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -177.432 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' b' b ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' b' b ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.35 128.7 37.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.232 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.69 26.87 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -172.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.73 -8.27 56.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.97 116.88 66.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 6' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -52.31 -32.81 52.91 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.68 1.587 . . . . 0.0 111.197 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.14 87.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.06 -42.15 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.81 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.47 -43.55 96.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.284 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.91 -36.49 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.95 -41.42 97.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.199 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 14' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.95 -31.36 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -60.21 -44.91 94.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.228 172.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.61 -46.83 88.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.59 -44.73 95.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.4 -48.17 71.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -48.1 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.17 79.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 22' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.78 -42.18 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.161 173.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.57 -43.95 90.88 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 24' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.05 95.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.26 -39.99 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.85 -43.44 73.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.219 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.95 -50.66 67.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.82 -44.37 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -59.94 -45.4 95.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.21 -48.04 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.86 -48.08 87.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 -177.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 33' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.57 -39.49 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.73 -48.56 50.03 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.14 75.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.361 . . . . 0.0 111.219 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.86 -52.38 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.266 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.15 88.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.96 -41.37 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 0.0 111.202 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.92 -41.25 97.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.22 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 42' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.67 -39.28 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.223 175.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.29 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.211 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.16 86.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.32 -47.26 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 171.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.52 -32.0 73.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.114 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.93 -23.18 62.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.92 11.23 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.78 34.3 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.22 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' b' b ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.534 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -177.408 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' c' c ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' c' c ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.28 128.66 37.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.15 -19.63 27.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.8 -8.27 56.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.85 116.89 66.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 6' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -52.26 -32.97 53.05 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.729 1.619 . . . . 0.0 111.201 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.18 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.169 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.02 -42.23 93.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.87 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.22 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.92 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.56 -43.64 97.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.81 -36.54 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.233 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.88 -41.4 97.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.241 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.38 62.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.18 -44.94 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.211 172.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.48 92.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.6 -46.9 88.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.87 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.3 -48.23 71.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.219 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.39 -48.1 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.66 -35.12 79.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 -175.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 22' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.66 -42.25 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.03 90.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -34.98 76.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -44.0 95.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.78 -43.51 72.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.03 -50.59 67.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.84 -44.32 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 -173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.03 -45.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 31' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.18 -48.03 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 32' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.94 -47.95 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 33' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.64 -39.48 82.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.69 -48.56 49.83 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.09 75.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 111.151 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.96 -52.28 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.66 -35.72 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.19 88.37 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 39' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.11 -41.23 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 111.171 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.83 -41.33 97.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.253 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.17 -36.64 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.75 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.245 175.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.12 -35.36 79.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.18 86.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.32 -47.34 75.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 46' ' ' THR . . . . . . . . . . . . . 62.1 p -65.54 -31.85 73.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 -176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.02 -23.26 62.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.21 38.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.92 34.46 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.159 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' c' c ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 -177.489 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' d' d ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.83 0.348 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' d' d ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.54 37.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.29 -19.75 26.58 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.75 -8.23 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.199 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.85 116.83 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.85 52.43 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.744 1.629 . . . . 0.0 111.24 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.25 87.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.15 94.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.05 -42.92 91.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.99 93.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.51 -43.57 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.82 -36.56 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 13' ' ' SER . . . . . . . . . . . . . 73.6 m -61.86 -41.45 97.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.98 -31.32 62.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.29 -44.9 94.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.176 172.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -44.59 92.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.58 -46.83 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.2 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.81 95.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -54.36 -48.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.272 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.45 -47.96 79.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.62 -35.27 79.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 -175.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 22' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.63 -42.19 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.254 173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.02 90.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.2 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.09 94.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 26' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -63.23 -40.08 96.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.55 72.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.94 -50.6 68.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.8 -44.33 96.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.09 -45.29 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.28 -48.02 75.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 32' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.81 -48.04 88.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.61 -39.5 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.63 -48.61 49.35 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.13 75.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.792 0.329 . . . . 0.0 111.152 175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 36' ' ' THR . . . . . . . . . . . . . 99.1 m -56.91 -52.35 65.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.206 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.62 -35.66 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.07 -43.18 88.4 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.08 -41.35 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.13 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.32 97.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.209 177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 41' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.25 -36.49 84.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.88 -39.16 93.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 43' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.13 -35.29 79.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.42 -37.12 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.218 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 45' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.26 -47.38 75.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.26 171.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -65.48 -31.85 73.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.172 -176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.06 -23.17 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.88 11.21 38.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 174.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.87 34.42 4.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' d' d ' 50' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.199 -1.571 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' e' e ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' e' e ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.27 128.66 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.247 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.19 -19.65 26.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.86 -8.25 56.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.169 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -83.0 116.81 66.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 6' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -52.24 -32.89 52.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.712 1.608 . . . . 0.0 111.145 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.08 -47.15 87.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.05 -42.21 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.86 91.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.95 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.208 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.65 -43.54 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.89 -36.47 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.243 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.97 -41.37 97.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.29 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -60.19 -44.92 94.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.24 172.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.5 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.67 -46.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.179 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.85 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 19' ' ' THR . . . . . . . . . . . . . 94.5 m -54.35 -48.24 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.224 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 20' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.42 -48.02 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.58 -35.23 79.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 -175.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.6 -42.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 173.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.42 -44.06 90.09 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 174.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.84 -35.14 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.165 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.09 -44.03 95.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 26' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -63.25 -40.0 96.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.223 175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.08 -50.55 67.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.8 -44.48 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 30' ' ' VAL . . . . . . . . . . . . . 47.2 t -59.96 -45.34 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.235 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.28 -47.99 75.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.88 -48.0 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.265 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.58 -39.48 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.74 -48.6 50.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.06 75.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 111.285 175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.57 -35.74 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.21 88.32 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.99 -41.28 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.93 -41.26 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 41' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.22 -36.53 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 174.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.82 -39.17 93.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.15 -35.35 79.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.33 -37.2 86.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 46' ' ' THR . . . . . . . . . . . . . 63.1 p -65.42 -31.91 73.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.188 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -71.01 -23.2 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.93 11.21 38.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.88 34.41 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' e' e ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 -177.5 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' f' f ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' f' f ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.44 128.68 37.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.2 -19.72 26.84 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -172.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.69 -8.37 56.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 111.268 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.76 116.84 66.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 6' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -52.26 -32.92 52.92 Favored 'Trans proline' 0 C--N 1.327 -0.556 0 C-N-CA 121.683 1.589 . . . . 0.0 111.173 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.2 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.09 -42.1 93.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.296 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.88 91.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.159 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.46 -43.62 96.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.253 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.49 72.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.194 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.93 -41.4 97.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.0 -31.32 62.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.17 -44.95 94.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.219 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 -44.56 91.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -60.6 -46.85 88.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.73 95.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 19' ' ' THR . . . . . . . . . . . . . 94.7 m -54.41 -48.17 71.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -47.99 79.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.64 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 -175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 22' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.77 -42.2 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 173.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.54 -43.92 90.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 24' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -68.92 -35.1 76.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.107 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.09 95.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.178 175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.15 -40.05 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.255 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.48 72.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.04 -50.59 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.89 -44.28 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -173.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.99 -45.42 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.25 -47.97 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.9 -47.95 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -67.65 -39.5 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.58 49.97 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.03 -46.19 75.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.169 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 36' ' ' THR . . . . . . . . . . . . . 99.5 m -56.87 -52.39 65.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 37' ' ' ILE . . . . . . . . . . . . . 41.8 mm -66.6 -35.68 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.1 -43.14 88.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 175.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.4 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.43 97.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.13 -36.53 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.84 -39.14 93.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.235 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.1 -35.39 79.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.39 -37.15 86.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 45' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -55.37 -47.33 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 171.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 46' ' ' THR . . . . . . . . . . . . . 62.4 p -65.46 -31.92 73.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -70.95 -23.14 62.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.96 11.14 38.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.76 34.35 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.25 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' f' f ' 50' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 -177.425 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' g' g ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.752 0.31 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' g' g ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.37 128.61 37.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.145 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.22 -19.69 26.83 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -172.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 4' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.77 -8.27 56.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.77 0.319 . . . . 0.0 111.239 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.82 116.83 66.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -52.23 -32.93 52.67 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.745 1.63 . . . . 0.0 111.201 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.15 87.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.09 -42.13 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.22 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.75 91.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.06 93.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.5 -43.58 96.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -70.88 -36.48 72.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 13' ' ' SER . . . . . . . . . . . . . 73.5 m -61.95 -41.39 97.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.258 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.98 -31.24 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -60.3 -44.91 94.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 172.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.55 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 17' ' ' SER . . . . . . . . . . . . . 75.3 m -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.82 95.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.197 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 19' ' ' THR . . . . . . . . . . . . . 94.1 m -54.32 -48.23 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.262 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 20' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.38 -47.99 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.264 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 21' ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -63.71 -35.12 79.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 22' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.8 -42.17 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.11 89.93 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 24' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -68.83 -35.07 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.174 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.16 -44.01 95.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.23 -40.08 96.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.45 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.224 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 28' ' ' MET . . . . . . . . . . . . . 38.7 mmt -64.02 -50.61 67.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.79 -44.44 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -173.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.9 -45.45 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.22 -48.03 75.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 32' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.9 -47.98 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.24 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 33' ' ' VAL . . . . . . . . . . . . . 47.9 t -67.57 -39.47 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.59 49.91 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.16 -46.03 75.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.188 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.91 -52.37 65.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 37' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.68 -35.69 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.03 -43.2 88.2 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 39' ' ' ILE . . . . . . . . . . . . . 38.4 mm -67.01 -41.42 87.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.769 0.319 . . . . 0.0 111.143 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.21 97.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 41' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.36 -36.47 84.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.81 -39.21 93.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.11 -35.34 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 176.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.28 -37.24 86.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 45' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.26 -47.45 75.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -65.4 -31.93 73.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.2 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 47' ' ' SER . . . . . . . . . . . . . 59.6 p -70.94 -23.26 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.91 11.24 38.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.92 34.44 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' g' g ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -177.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' h' h ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.809 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' h' h ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.33 128.62 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.18 -19.65 26.97 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -172.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.83 -8.22 56.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.195 175.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 5' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -82.89 116.86 66.38 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.212 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.25 -32.9 52.73 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.694 1.596 . . . . 0.0 111.189 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -47.22 87.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.19 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 8' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -60.17 -42.08 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.82 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.0 93.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.6 -43.52 97.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 12' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -70.88 -36.6 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.88 -41.45 97.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.157 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 14' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.94 -31.25 62.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.31 -44.9 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 172.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.59 92.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.19 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -60.62 -46.82 88.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.85 95.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.226 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 19' ' ' THR . . . . . . . . . . . . . 94.6 m -54.37 -48.14 71.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.268 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.45 -48.05 79.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.55 -35.3 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 -175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 22' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.64 -42.25 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.01 90.33 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.81 -35.17 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.14 94.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 26' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -63.23 -39.99 96.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 175.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.84 -43.41 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.1 -50.52 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 29' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.86 -44.34 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -60.01 -45.32 95.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.32 -48.01 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 32' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.88 -48.03 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.55 -39.49 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.7 -48.55 49.92 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.15 75.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 111.181 175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 36' ' ' THR . . . . . . . . . . . . . 99.3 m -56.91 -52.32 65.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -66.65 -35.72 75.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.18 88.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 39' ' ' ILE . . . . . . . . . . . . . 38.1 mm -67.12 -41.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.704 0.288 . . . . 0.0 111.075 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.163 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.16 -36.59 84.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 42' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -62.84 -39.1 93.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 175.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.19 -35.28 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.41 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.205 175.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -55.27 -47.4 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 46' ' ' THR . . . . . . . . . . . . . 62.2 p -65.49 -31.82 73.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.204 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -71.05 -23.21 62.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.87 11.14 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.166 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.82 34.47 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' h' h ' 50' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' i' i ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.733 0.302 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' i' i ' 2' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.42 128.72 38.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.184 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.17 -19.67 26.98 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -172.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 4' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -87.81 -8.22 56.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 5' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -82.94 116.83 66.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 6' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.26 -32.82 52.43 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.66 1.574 . . . . 0.0 111.271 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.17 -47.13 87.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.203 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 8' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -60.2 -42.08 94.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.82 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 11' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -60.59 -43.52 97.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 12' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -70.94 -36.51 72.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -61.92 -41.42 97.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 14' ' ' LEU . . . . . . . . . . . . . 93.6 mt -74.01 -31.24 62.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -60.24 -44.92 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 172.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.57 92.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 17' ' ' SER . . . . . . . . . . . . . 75.0 m -60.6 -46.89 88.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.77 95.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.197 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 19' ' ' THR . . . . . . . . . . . . . 94.8 m -54.38 -48.24 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.46 -48.08 79.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 21' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -63.54 -35.21 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 22' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.7 -42.23 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.234 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.47 -44.08 90.36 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 24' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -68.89 -35.05 76.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -44.08 94.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.247 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 26' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -63.18 -40.04 96.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.53 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.194 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 28' ' ' MET . . . . . . . . . . . . . 38.8 mmt -63.9 -50.6 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.82 -44.4 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.224 -173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.99 -45.39 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 -179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 31' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.19 -48.0 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 32' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.83 -48.16 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 33' ' ' VAL . . . . . . . . . . . . . 47.8 t -67.53 -39.45 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 34' ' ' GLY . . . . . . . . . . . . . . . -51.72 -48.6 49.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.1 75.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.811 0.339 . . . . 0.0 111.239 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 36' ' ' THR . . . . . . . . . . . . . 99.4 m -56.89 -52.42 65.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.64 -35.64 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.234 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.0 -43.24 88.05 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 39' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.97 -41.36 87.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.79 -41.33 97.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 41' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.24 -36.48 84.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 42' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.92 -39.09 93.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 43' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.14 -35.4 79.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.34 -37.12 86.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 45' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.35 -47.36 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -65.46 -31.89 73.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 47' ' ' SER . . . . . . . . . . . . . 59.5 p -71.0 -23.19 62.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.201 175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -97.82 11.08 38.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.85 34.37 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' i' i ' 50' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.199 -177.511 . . . . . . . . 0 0 . 1 stop_ save_